2-Phenylpropanol

C9H12OCAS 37778-99-7136.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
logP
1.78Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
37778-99-7
SMILES
C[C@H](CO)C1=CC=CC=C1
InChIKey
RNDNSYIPLPAXAZ-MRVPVSSYSA-N
InChI
InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • (S)-(-)-2-Phenyl-1-propanol

Work with 2-Phenylpropanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Phenyl-1-propanol98103-87-8Stereo not defined 2-Phenyl-1-propanol1123-85-9Stereo not defined

Similar compounds

sec-Butylbenzene135-98-858 % similar (R)-2-Isopropylamino-2-phenylethanol112211-92-457 % similar 2-Phenyl-1,3-propanediol1570-95-256 % similar 1-Bromo-2-phenylpropane1459-00-356 % similar (2S)-2-Phenylpropan-1-amine17596-79-156 % similar (R)-2-Phenyl-1-propylamine28163-64-656 % similar (±)-2-Phenylpropylamine582-22-956 % similar (1R)-(-)-1-Phenylethane-1,2-diol16355-00-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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