4-Chlorobenzenepropanol

C₉H₁₁ClOCAS 6282-88-8170.64 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₉H₁₁ClO
Molar mass: 170.64 g/mol
Exact mass: 170.0498 Da
logP: 2.26Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed95.3% of notifiers
H319 Causes serious eye irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

6282-88-8

SMILES

C1=CC(=CC=C1CCCO)Cl

InChIKey

ZHBIWFGGIKFSHZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2

Weigh it out

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

Names and synonyms

1 names

3-(4-Chlorophenyl)propan-1-ol

Work with 4-Chlorobenzenepropanol

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

4-Chlorobenzeneethanol1875-88-374 % similar Benzenepropanol122-97-458 % similar 3-(4-Hydroxyphenyl)-1-propanol10210-17-058 % similar 4-Chlorobenzyl alcohol873-76-756 % similar 1-Butyl-4-chlorobenzene15499-27-156 % similar 3-(4-Bromophenyl)propan-1-ol25574-11-256 % similar (4-Chlorophenyl)phenylmethane831-81-254 % similar 4-Pyridinepropanol2629-72-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R)-3-Chloro-1-phenyl-propan-1-ol100306-33-0 (-)-3-Chloro-1-phenyl-1-propanol100306-34-1 Benzyl 2-chloroethyl ether17229-17-3 4-(2-Chloroethyl)phenyl methyl ether18217-00-0 3-Chloro-1-phenyl-1-propanol18776-12-0

Elsewhere

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