chempirical

2-(3-Chlorophenyl)ethanol

C8H9ClOCAS 5182-44-5156.61 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
Boiling point
100.5 °C (at 3 Torr)
logP
1.87Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
5182-44-5
SMILES
OCCc1cccc(Cl)c1
InChIKey
NDWAVJKRSASRPH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

Weigh it out

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

Names and synonyms

8 names
  • Benzeneethanol, 3-chloro-
  • Phenethyl alcohol, m-chloro-
  • 3-Chlorobenzeneethanol
  • 3-Chlorophenethyl alcohol
  • m-Chlorophenethyl alcohol
  • 2-(3-Chlorophenyl)ethyl alcohol
  • 3-Chlorophenethanol
  • 2-(3-Chlorophenyl)ethan-1-ol

Work with 2-(3-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

3-Chlorobenzyl alcohol873-63-263 % similar 4-Chlorobenzeneethanol1875-88-362 % similar 2-(3-Chlorophenyl)ethylamine13078-79-059 % similar 3-Hydroxybenzeneethanol13398-94-259 % similar 3-Methylbenzeneethanol1875-89-457 % similar Phenethyl alcohol60-12-856 % similar 3-Chlorobenzyl chloride620-20-254 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-253 % 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

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