1-(4-Chloro-2-hydroxyphenyl)ethanone

C₈H₇ClO₂CAS 6921-66-0170.59 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 50–51 °C
Boiling point: 126 °C (at 16 Torr)
logP: 2.25Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

6921-66-0

SMILES

CC(=O)c1ccc(Cl)cc1O

InChIKey

QCVSDCHNBNFJDQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3

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Names and synonyms

6 names

Ethanone, 1-(4-chloro-2-hydroxyphenyl)-
Acetophenone, 4′-chloro-2′-hydroxy-
4′-Chloro-2′-hydroxyacetophenone
2′-Hydroxy-4′-chloroacetophenone
4-Chloro-o-hydroxyacetophenone
1-(4-Chloro-2-hydroxyphenyl)ethan-1-one

Work with 1-(4-Chloro-2-hydroxyphenyl)ethanone

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

2′,4′-Dichloroacetophenone2234-16-464 % similar 2′,4′-Dihydroxyacetophenone89-84-964 % similar 4-Chlorosalicylic acid5106-98-962 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-862 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-260 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-860 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-159 % similar 4,6-Diacetylresorcinol2161-85-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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