2-PHENYL-1-PROPANOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H12O
Molecular Weight	136.191
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CO)C1=CC=CC=C1

InChI

InChIKey=RNDNSYIPLPAXAZ-UHFFFAOYSA-N

InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H12O
Molecular Weight	136.191
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15064803

2-Phenyl-1-propanol is a metabolite of isopropylbenzol. It is used as a tool substrate to study stereoselectivity of enzymatic reactions.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Experimental investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part II. Vibrational analysis of the A 2E"3-X 2E"2 electronic transition.	2008-02-28	18315050
Computational investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part I. Theoretical calculation of spectroscopically observable parameters.	2008-02-28	18315049
[Study on enantioselectivity of celluloses derived by phenylcarbamate at 2,3- or 2,3,6-positions].	2007-03	17580686
Asymmetric resolution in ester reduction by NaBH4 at the interface of aqueous aggregates of amino acid, peptide, and chiral-counterion-based cationic surfactants.	2006-12-18	17441121
Pseudorotation-driven dynamical structure of the tropyl radical.	2006-10-28	17092098
Chromatographic separation of phenylpropanol enantiomers on a quinidine carbamate-type chiral stationary phase.	2005-10-14	16395788
Water dependent properties of cutinase in nonaqueous solvents: a computational study of enantioselectivity.	2005-08	15923226
Poly(ethylene glycol)-lipase complexes that are highly active and enantioselective in ionic liquids.	2004-04-21	15064803
Effect of immobilization support, water activity, and enzyme ionization state on cutinase activity and enantioselectivity in organic media.	2004-02-20	14755562
Infrared spectroscopy of neutral C7H7 isomers: benzyl and tropyl.	2003-12-24	14677940
Active site characteristics of CYP4B1 probed with aromatic ligands.	2001-07-24	11456500
Enantioselective metabolism of cumene.	1992-11	1492421
[Cleavage of 2-phenylpropan-1-ol and 2-phenylpropan-2-ol-glucuronide, 2 metabolites of isopropylbenzol (Cumol)].	1986	3811631

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:27:18 GMT 2025` Edited by `admin` on `Mon Mar 31 20:27:18 GMT 2025`
Record UNII	27ZYZ88DWU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-PHENYL-1-PROPANOL

Systematic Name

English

FEMA NO. 2732

Preferred Name

English

(±)-2-PHENYLPROPANOL

Systematic Name

English

(±)-.BETA.-METHYLBENZENEETHANOL

Systematic Name

English

2-PHENYLPROPANOL

Systematic Name

English

2-PHENYLPROPAN-1-OL

Systematic Name

English

(±)-2-PHENYL-1-PROPANOL

Systematic Name

English

1-HYDROXY-2-PHENYLPROPANE

Systematic Name

English

BENZENEETHANOL, .BETA.-METHYL-

Systematic Name

English

.BETA.-METHYLPHENETHYL ALCOHOL [FHFI]

Common Name

English

(RS)-2-PHENYL-1-PROPANOL

Systematic Name

English

PHENETHYL ALCOHOL, .BETA.-METHYL-

Systematic Name

English

1-PROPANOL, 2-PHENYL-

Systematic Name

English

NSC-5232

Code

English

2-PHENYLPROPYL ALCOHOL

Systematic Name

English

Code System Code Type Description

MESH

C439395