chempirical

1-(2-Chlorophenyl)ethanol

C8H9ClOCAS 13524-04-4156.61 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
1.355 g/mL (at 20 °C)
Boiling point
115–116 °C (at 12 Torr)
logP
2.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
13524-04-4
SMILES
CC(O)c1ccccc1Cl
InChIKey
DDUBOVLGCYUYFX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanol, 2-chloro-α-methyl-
  • Benzyl alcohol, o-chloro-α-methyl-
  • 2-Chloro-α-methylbenzenemethanol
  • α-(o-Chlorophenyl)ethanol
  • (±)-1-(2-Chlorophenyl)ethanol
  • 1-(o-Chlorophenyl)ethanol
  • (±)-1-(o-Chlorophenyl)ethanol
  • 1-(2-Chlorophenyl)-1-ethanol

Work with 1-(2-Chlorophenyl)ethanol

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

2,6-Dichloro-α-methylbenzenemethanol53066-19-663 % similar 1-(2-Bromophenyl)ethan-1-ol114446-55-855 % similar 2-Fluoro-α-methylbenzenemethanol445-26-153 % similar (1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-050 % similar Clorprenaline3811-25-450 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-348 % similar 3-Chloro-α-methylbenzenemethanol6939-95-347 % similar 1-Phenylethanol13323-81-446 % 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 4-Chloro-3-ethylphenol14143-32-9 4-Chlorobenzeneethanol1875-88-3

Elsewhere

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