Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

1 – 15 of 236 results

Hexestrol, 98+%, Thermo Scientific Chemicals

CAS: 84-16-2 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00068996 InChI Key: PBBGSZCBWVPOOL-UHFFFAOYNA-N Synonym: hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar PubChem CID: 192197 SMILES: CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Specifications

PubChem CID	192197
CAS	84-16-2
Molecular Weight (g/mol)	270.37
MDL Number	MFCD00068996
SMILES	CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar
InChI Key	PBBGSZCBWVPOOL-UHFFFAOYNA-N
Molecular Formula	C18H22O2

3-Fluorophenylacetone, 98%, Thermo Scientific™

CAS: 1737-19-5 Molecular Formula: C₉H₉FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00061144 InChI Key: UWCPYXSRCQVABG-UHFFFAOYSA-N Synonym: 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone PubChem CID: 137185 IUPAC Name: 1-(3-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)F

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Specifications

PubChem CID	137185
CAS	1737-19-5
Molecular Weight (g/mol)	152.17
MDL Number	MFCD00061144
SMILES	CC(=O)CC1=CC(=CC=C1)F
Synonym	3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone
IUPAC Name	1-(3-fluorophenyl)propan-2-one
InChI Key	UWCPYXSRCQVABG-UHFFFAOYSA-N
Molecular Formula	C₉H₉FO

2,6-Difluorophenylacetone, 98%, Thermo Scientific Chemicals

CAS: 101712-20-3 Molecular Formula: C₉H₈F₂O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F

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Specifications

PubChem CID	2734927
CAS	101712-20-3
Molecular Weight (g/mol)	170.16
SMILES	CC(=O)CC1=C(C=CC=C1F)F
Synonym	1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone
IUPAC Name	1-(2,6-difluorophenyl)propan-2-one
InChI Key	LAWHOFKPDMZDLJ-UHFFFAOYSA-N
Molecular Formula	C₉H₈F₂O

(+/-)-2-Phenylbutyric acid, 98%, Thermo Scientific Chemicals

CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

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Specifications

PubChem CID	7012
CAS	90-27-7
Molecular Weight (g/mol)	164.204
ChEBI	CHEBI:86545
MDL Number	MFCD00002667
SMILES	CCC(C1=CC=CC=C1)C(=O)O
Synonym	2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl
IUPAC Name	2-phenylbutanoic acid
InChI Key	OFJWFSNDPCAWDK-UHFFFAOYSA-N
Molecular Formula	C10H12O2

3,5-Di-tert-butylcatechol, 99%, Thermo Scientific Chemicals

CAS: 1020-31-1 Molecular Formula: C₁₄H₂₂O₂ Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

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Specifications

PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00008819
SMILES	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym	3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₂O₂

2,6-Difluorophenylacetone, 98%, Thermo Scientific™

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4-n-Propylphenylboronic acid, 95%, Thermo Scientific™

CAS: 134150-01-9 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00859261 InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N Synonym: 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid PubChem CID: 4100861 IUPAC Name: (4-propylphenyl)boronic acid SMILES: CCCC1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	4100861
CAS	134150-01-9
Molecular Weight (g/mol)	164.01
MDL Number	MFCD00859261
SMILES	CCCC1=CC=C(C=C1)B(O)O
Synonym	4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid
IUPAC Name	(4-propylphenyl)boronic acid
InChI Key	WLCGYIWOKVWFLB-UHFFFAOYSA-N
Molecular Formula	C9H13BO2

3,5-Di-tert-butyltoluene, 98+%, Thermo Scientific Chemicals

CAS: 15181-11-0 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00026300 InChI Key: WIXDSJRJFDWTNY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene PubChem CID: 84819 IUPAC Name: 1,3-ditert-butyl-5-methylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	84819
CAS	15181-11-0
Molecular Weight (g/mol)	204.357
MDL Number	MFCD00026300
SMILES	CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Synonym	3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene
IUPAC Name	1,3-ditert-butyl-5-methylbenzene
InChI Key	WIXDSJRJFDWTNY-UHFFFAOYSA-N
Molecular Formula	C15H24

4-n-Propylbenzeneboronic acid, 98%, Thermo Scientific Chemicals

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Specifications

PubChem CID	4100861
CAS	134150-01-9
Molecular Weight (g/mol)	164.01
MDL Number	MFCD00859261
SMILES	CCCC1=CC=C(C=C1)B(O)O
Synonym	4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid
IUPAC Name	(4-propylphenyl)boronic acid
InChI Key	WLCGYIWOKVWFLB-UHFFFAOYSA-N
Molecular Formula	C9H13BO2

3,5-Di-tert-butylaniline, 97%, Thermo Scientific Chemicals

CAS: 2380-36-1 Molecular Formula: C14H23N Molecular Weight (g/mol): 205.345 MDL Number: MFCD00134096 InChI Key: MJKNHXCPGXUEDO-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylaniline,3,5-di-t-butylaniline,benzenamine, 3,5-bis 1,1-dimethylethyl,acmc-1cdyp,3,5-ditert-butylphenylamine,3,5-bis tert-butyl aniline,3,5-di-tert-butylphenylamine,3,5-bis tert-butyl phenylamine,mjknhxcpgxuedo-uhfffaoysa,3,5-ditert-butyl-phenyl-amine PubChem CID: 75419 IUPAC Name: 3,5-ditert-butylaniline SMILES: CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C

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Specifications

PubChem CID	75419
CAS	2380-36-1
Molecular Weight (g/mol)	205.345
MDL Number	MFCD00134096
SMILES	CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C
Synonym	3,5-di-tert-butylaniline,3,5-di-t-butylaniline,benzenamine, 3,5-bis 1,1-dimethylethyl,acmc-1cdyp,3,5-ditert-butylphenylamine,3,5-bis tert-butyl aniline,3,5-di-tert-butylphenylamine,3,5-bis tert-butyl phenylamine,mjknhxcpgxuedo-uhfffaoysa,3,5-ditert-butyl-phenyl-amine
IUPAC Name	3,5-ditert-butylaniline
InChI Key	MJKNHXCPGXUEDO-UHFFFAOYSA-N
Molecular Formula	C14H23N

N-(4-tert-butylbenzyl)-N-methylamine, Thermo Scientific™

CAS: 65542-26-9 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 InChI Key: ZSHCHOYJMLEAOX-UHFFFAOYSA-N Synonym: n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl PubChem CID: 2396874 IUPAC Name: 1-(4-tert-butylphenyl)-N-methylmethanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CNC

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Specifications

PubChem CID	2396874
CAS	65542-26-9
Molecular Weight (g/mol)	177.291
SMILES	CC(C)(C)C1=CC=C(C=C1)CNC
Synonym	n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl
IUPAC Name	1-(4-tert-butylphenyl)-N-methylmethanamine
InChI Key	ZSHCHOYJMLEAOX-UHFFFAOYSA-N
Molecular Formula	C12H19N

4-(tert-Butyl)-2-chloroaniline, 95%, Thermo Scientific™

CAS: 42265-67-8 Molecular Formula: C10H14ClN Molecular Weight (g/mol): 183.68 MDL Number: MFCD00052272 InChI Key: MFEZEFHCSBXPPO-UHFFFAOYSA-N Synonym: 4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl PubChem CID: 521094 IUPAC Name: 4-tert-butyl-2-chloroaniline SMILES: CC(C)(C)C1=CC(Cl)=C(N)C=C1

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Specifications

PubChem CID	521094
CAS	42265-67-8
Molecular Weight (g/mol)	183.68
MDL Number	MFCD00052272
SMILES	CC(C)(C)C1=CC(Cl)=C(N)C=C1
Synonym	4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl
IUPAC Name	4-tert-butyl-2-chloroaniline
InChI Key	MFEZEFHCSBXPPO-UHFFFAOYSA-N
Molecular Formula	C10H14ClN

4-(tert-Butyl)phenyl isocyanate, 97%, Thermo Scientific™

CAS: 1943-67-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00040718 InChI Key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate PubChem CID: 2735695 IUPAC Name: 1-tert-butyl-4-isocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O

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Specifications

PubChem CID	2735695
CAS	1943-67-5
Molecular Weight (g/mol)	175.231
MDL Number	MFCD00040718
SMILES	CC(C)(C)C1=CC=C(C=C1)N=C=O
Synonym	4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate
IUPAC Name	1-tert-butyl-4-isocyanatobenzene
InChI Key	WUWBDQJTQTVBSQ-UHFFFAOYSA-N
Molecular Formula	C11H13NO

4-(tert-Butyl)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 19241-24-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00022059 InChI Key: OCGNNCBNRBTUCG-UHFFFAOYSA-N PubChem CID: 140503 IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S

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Specifications

PubChem CID	140503
CAS	19241-24-8
Molecular Weight (g/mol)	191.292
MDL Number	MFCD00022059
SMILES	CC(C)(C)C1=CC=C(C=C1)N=C=S
IUPAC Name	1-tert-butyl-4-isothiocyanatobenzene
InChI Key	OCGNNCBNRBTUCG-UHFFFAOYSA-N
Molecular Formula	C11H13NS

1-Eth-1-ynyl-4-propylbenzene, 97%, Thermo Scientific™

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

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Specifications

PubChem CID	2775133
CAS	62452-73-7
Molecular Weight (g/mol)	144.217
MDL Number	MFCD00173886
SMILES	CCCC1=CC=C(C=C1)C#C
Synonym	4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name	1-ethynyl-4-propylbenzene
InChI Key	UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula	C11H12

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