3-Chlorobenzhydrol

C₁₃H₁₁ClOCAS 63012-03-3218.68 g/mol

Open in Covalent MOL file

Alcohol Aryl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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 4-Bromo-α-phenylbenzenemethanol29334-16-548 % 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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