chempirical

2-Chlorobenzeneethanol

C8H9ClOCAS 19819-95-5156.61 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
58–61 °C (at 0.08 Torr)
logP
1.87Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
19819-95-5
SMILES
OCCc1ccccc1Cl
InChIKey
IWNHTCBFRSCBQK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2

Weigh it out

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

Names and synonyms

6 names
  • Benzeneethanol, 2-chloro-
  • Phenethyl alcohol, o-chloro-
  • 2-(2-Chlorophenyl)ethanol
  • 2-Chlorophenethyl alcohol
  • 2-Chlorophenethanol
  • 2-(2-Chlorophenyl)ethan-1-ol

Work with 2-Chlorobenzeneethanol

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-Chlorobenzyl alcohol17849-38-662 % similar 2,6-Dichlorobenzeneethanol30595-79-062 % similar 2-(2-Chlorophenyl)ethylamine13078-80-357 % similar 1-(2-Bromoethyl)-2-chlorobenzene16793-91-257 % similar 1-Naphthaleneethanol773-99-955 % similar 2-Bromobenzeneethanol1074-16-454 % similar 2-(2-Hydroxyethyl)phenol7768-28-754 % similar 2-Chlorobenzyl chloride611-19-852 % 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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