1-(3-Chloro-4-hydroxyphenyl)ethanone

C₈H₇ClO₂CAS 2892-29-7170.59 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: 95 °C
logP: 2.25Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

2892-29-7

SMILES

CC(=O)c1ccc(O)c(Cl)c1

InChIKey

GMTSPBYBJKGPJF-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

4 names

Ethanone, 1-(3-chloro-4-hydroxyphenyl)-
Acetophenone, 3′-chloro-4′-hydroxy-
3′-Chloro-4′-hydroxyacetophenone
1-(3-Chloro-4-hydroxyphenyl)-1-ethanone

Work with 1-(3-Chloro-4-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

3′,4′-Dihydroxyacetophenone1197-09-768 % similar 3′,4′-Dichloroacetophenone2642-63-968 % similar 3-Chloro-4-hydroxybenzoic acid3964-58-762 % similar 4′-Hydroxy-3′-methylacetophenone876-02-862 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-260 % similar 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-059 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-659 % similar 5-Acetylsalicylic acid13110-96-858 % 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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