3-Chlorobenzhydrol

C13H11ClOCAS 63012-03-3218.68 g/mol

Open in Covalent MOL file
ClOH
AlcoholAryl halide

Properties

Molecular formula
C13H11ClO
Molar mass
218.68 g/mol
Exact mass
218.0498 Da
logP
3.42Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
63012-03-3
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)O
InChIKey
DDCJHFYXAPQYLA-UHFFFAOYSA-N
InChI
InChI=1S/C13H11ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H

Weigh it out

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Names and synonyms

1 names
  • (3-Chlorophenyl)(phenyl)methanol

Work with 3-Chlorobenzhydrol

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

Diphenylmethanol91-01-063 % similar 4,4′-Dichlorobenzhydrol90-97-156 % similar (1R)-1-(3-Chlorophenyl)ethanol120121-01-955 % similar (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-555 % similar 3-Chloro-α-methylbenzenemethanol6939-95-355 % similar 3-(Trifluoromethyl)benzhydrol728-80-353 % similar 4-Methylbenzhydrol1517-63-148 % similar p-Bromobenzhydryl alcohol29334-16-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorobenzhydrol119-56-2 Chlorophene120-32-1 3-Phenoxybenzyl chloride53874-66-1 4-Benzyloxychlorobenzene7700-27-8

Elsewhere

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