1-(4-Chlorophenyl)ethanol

C8H9ClOCAS 3391-10-4156.61 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
1.171 g/mL (at 20 °C)
Boiling point
140–142 °C (at 31 Torr)
logP
2.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3391-10-4
SMILES
CC(O)c1ccc(Cl)cc1
InChIKey
MVOSNPUNXINWAD-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Benzenemethanol, 4-chloro-alpha-methyl-
  • Benzenemethanol, 4-chloro-α-methyl-
  • Benzyl alcohol, p-chloro-α-methyl-
  • 4-Chloro-α-methylbenzenemethanol
  • α-(p-Chlorophenyl)ethanol
  • p-Chloro-α-methylbenzyl alcohol
  • 1-(p-Chlorophenyl)ethanol
  • 1-p-Chlorophenylethyl alcohol
  • 4-Chlorophenylmethylcarbinol
  • p-Chloro-α-phenylethanol
  • 1-(4-Chlorophenyl)ethan-1-ol
  • (±)-1-(4-Chlorophenyl)ethanol
  • NSC 87867
  • (±)-1-(p-Chlorophenyl)ethanol
  • CPE
  • α-Methyl-4-chlorobenzenemethanol
  • 4-Chloro-α-methylbenzyl alcohol
  • CPE (chlorophenyl ethanol)

Work with 1-(4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1R)-1-(4-Chlorophenyl)ethan-1-ol75968-40-0Defined stereoisomer (S)-4-Chloro-alpha-methylbenzyl alcohol99528-42-4Defined stereoisomer

Similar compounds

3-Chloro-α-methylbenzenemethanol6939-95-361 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-858 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-558 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar 4,4′-Dichlorobenzhydrol90-97-156 % similar 1-Phenylethanol98-85-156 % 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