chempirical

(S)-1-Phenylpropanol

C9H12OCAS 613-87-6136.19 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
61 °C (at 0.2 Torr)
logP
2.13Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
613-87-6
SMILES
CC[C@H](O)c1ccccc1
InChIKey
DYUQAZSOFZSPHD-VIFPVBQESA-N
InChI
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenemethanol, α-ethyl-, (αS)-
  • Benzenemethanol, α-ethyl-, (S)-
  • Benzyl alcohol, α-ethyl-, (S)-(-)-
  • (αS)-α-Ethylbenzenemethanol
  • (-)-α-Ethylbenzyl alcohol
  • (-)-1-Phenylpropyl alcohol
  • (-)-1-Phenylpropan-1-ol
  • (S)-1-Phenylpropan-1-ol
  • (S)-(-)-1-Phenyl-1-propanol
  • (S)-Phenylethylcarbinol
  • (S)-α-Ethylbenzyl alcohol
  • (S)-α-Hydroxypropylbenzene
  • (-)-α-Phenylpropanol
  • (S)-α-Ethylbenzenemethanol
  • (-)-1-Phenylpropanol
  • (1S)-1-Phenyl-1-propanol
  • (1S)-1-Phenylpropan-1-ol

Reactions

Work with (S)-1-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

Similar compounds

1-Phenyl-1-propanol93-54-9100 % similar 1-Phenyl-1-pentanol583-03-959 % similar 1-Phenyl-1,2-ethanediol7138-28-558 % similar 1-Phenyl-1,2-ethanediol93-56-158 % similar (1-Ethylpropyl)benzene1196-58-356 % similar 1,1-Diphenylpropane1530-03-656 % similar (-)-Phenylethanolamine2549-14-656 % similar Phenylethanolamine7568-93-656 % 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-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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