chempirical

2-Phenyl-1-propanol

C9H12OCAS 98103-87-8136.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Density
1.007 g/mL (at 16 °C)
Melting point
125–127 °C
Boiling point
112–114 °C (at 12 Torr)
logP
1.78Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
98103-87-8
SMILES
CC(CO)c1ccccc1
InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzeneethanol, β-methyl-
  • Phenethyl alcohol, β-methyl-
  • β-Methylbenzeneethanol
  • Hydratropic alcohol
  • Hydratropyl alcohol
  • β-Phenylpropyl alcohol
  • β-Methylphenethyl alcohol
  • 2-Phenylpropyl alcohol
  • 1-Hydroxy-2-phenylpropane
  • 1-Propanol, 2-phenyl-
  • 2-Phenylpropanol
  • (±)-2-Phenyl-1-propanol
  • (±)-β-Methylbenzeneethanol
  • NSC 5232
  • (±)-2-Phenylpropanol
  • (RS)-2-Phenyl-1-propanol

Work with 2-Phenyl-1-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

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 (±)-2-Phenylpropylamine582-22-956 % similar 1-Phenyl-1,2-ethanediol7138-28-552 % similar 1-Phenyl-1,2-ethanediol93-56-152 % similar 3-Phenylbutyric acid4593-90-252 % 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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