4-(4-Chlorophenoxy)phenol

C₁₂H₉ClO₂CAS 21567-18-0220.65 g/mol

Open in Covalent MOL file

Aryl halide Ether Phenol

Properties

Molecular formula: C₁₂H₉ClO₂
Molar mass: 220.65 g/mol
Exact mass: 220.0291 Da
logP: 3.84Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P354+P338, P317, P330, P342+P316, P403, P501

Identifiers

CAS number

21567-18-0

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl

InChIKey

XQMRZWSYBUCVAX-UHFFFAOYSA-N

InChI

InChI=1S/C12H9ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H

Weigh it out

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

Work with 4-(4-Chlorophenoxy)phenol

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-Chlorophenol106-48-971 % similar 4,4′-Dihydroxydiphenyl ether1965-09-971 % similar Chlorophenoxybenzene55398-86-260 % similar 4-Chlorophenyl phenyl ether7005-72-360 % similar 4-Phenoxyphenol831-82-360 % similar 4-(4-Chlorophenoxy)benzenamine101-79-156 % similar 3,4′-Dichlorodiphenyl ether6842-62-254 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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