(S)-1-Phenyl-2-propanol

C9H12OCAS 1517-68-6136.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Boiling point
170 °C (at 15 Torr)
logP
1.61Crippen 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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1517-68-6
SMILES
C[C@H](O)Cc1ccccc1
InChIKey
WYTRYIUQUDTGSX-QMMMGPOBSA-N
InChI
InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzeneethanol, α-methyl-, (αS)-
  • Phenethyl alcohol, α-methyl-, (S)-(+)-
  • Benzeneethanol, α-methyl-, (S)-
  • (αS)-α-Methylbenzeneethanol
  • (S)-(+)-Benzylmethylcarbinol
  • (+)-(S)-1-Phenyl-2-propanol
  • (S)-(+)-1-Phenyl-2-propanol
  • (+)-1-Phenyl-2-propanol
  • (+)-α-Methylbenzeneethanol
  • (+)-α-Methylphenethyl alcohol
  • (S)-3-Phenyl-2-propanol
  • (S)-1-Phenylpropan-2-ol
  • (2S)-1-Phenylpropan-2-ol

Work with (S)-1-Phenyl-2-propanol

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.

(R)-1-Phenyl-2-propanol1572-95-8Enantiomer 1-Phenyl-2-propanol698-87-3Stereo not defined 1-Phenyl-2-propanol14898-87-4Stereo not defined

Similar compounds

4-Phenyl-2-butanol2344-70-965 % similar Isobutylbenzene538-93-256 % similar 2-Bromo-1-phenylpropane2114-39-850 % similar Amphetamine300-62-950 % similar D-Amphetamine51-64-950 % similar 1-Phenoxy-2-propanol770-35-450 % similar 1-Amino-3-phenylpropan-2-ol50411-26-247 % similar Meth537-46-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Ethyl-4-methoxybenzene1515-95-3 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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