chempirical

3-Methylbenzeneethanol

C9H12OCAS 1875-89-4136.19 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
1.001 g/mL (at 20 °C)
Boiling point
112–113 °C (at 10 Torr)
logP
1.53Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1875-89-4
SMILES
Cc1cccc(CCO)c1
InChIKey
KWHVBVJDKLSOTB-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3

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

Names and synonyms

6 names
  • Benzeneethanol, 3-methyl-
  • Phenethyl alcohol, m-methyl-
  • 3-Methylphenethyl alcohol
  • 2-(3-Methylphenyl)ethanol
  • 2-(m-Tolyl)ethanol
  • 2-(3-Methylphenyl)-1-ethanol

Work with 3-Methylbenzeneethanol

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

3-Methylbenzyl alcohol587-03-164 % similar Phenethyl alcohol60-12-860 % similar 4-Methylbenzeneethanol699-02-559 % similar 3-Hydroxybenzeneethanol13398-94-257 % similar 2-(3-Chlorophenyl)ethanol5182-44-557 % similar 1-Ethyl-3-methylbenzene620-14-455 % similar 3-Methoxybenzeneethanol5020-41-755 % similar 3-Methylbenzyl bromide620-13-353 % 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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