chempirical

3-Chloro-α-methylbenzenemethanol

C8H9ClOCAS 6939-95-3156.61 g/mol

Open in Covalent MOL file
HOCl
AlcoholAryl halide

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Density
1.174 g/mL (at 20 °C)
Boiling point
240–246 °C (at 748 Torr)
logP
2.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
6939-95-3
SMILES
CC(O)c1cccc(Cl)c1
InChIKey
QYUQVBHGBPRDKN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenemethanol, 3-chloro-α-methyl-
  • Benzyl alcohol, m-chloro-α-methyl-
  • 1-(m-Chlorophenyl)ethanol
  • (3-Chlorophenyl)methylcarbinol
  • 1-(3-Chlorophenyl)ethanol
  • NSC 38772
  • (±)-1-(m-Chlorophenyl)ethanol
  • 1-(3-Chlorophenyl)ethan-1-ol
  • 1-(3-Chlorophenyl)-1-ethanol

Reactions

Work with 3-Chloro-α-methylbenzenemethanol

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-(4-Chlorophenyl)ethanol3391-10-461 % similar 3-Fluoro-α-methylbenzenemethanol402-63-160 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-058 % similar 3-(1-Hydroxyethyl)aniline2454-37-758 % similar 1-(3-Bromophenyl)ethanol52780-14-058 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook