chempirical

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

C8H7ClO2CAS 68301-59-7170.59 g/mol

Open in Covalent MOL file
OOHCl
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Melting point
110 °C
logP
2.25Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
68301-59-7
SMILES
CC(=O)c1ccc(O)cc1Cl
InChIKey
LEQXWOPVKMSPDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Ethanone, 1-(2-chloro-4-hydroxyphenyl)-
  • 2′-Chloro-4′-hydroxyacetophenone
  • 3-Chloro-4-acetylphenol
  • 1-(2-Chloro-4-hydroxyphenyl)ethan-1-one

Work with 1-(2-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

2′,4′-Dichloroacetophenone2234-16-464 % similar 2′,4′-Dihydroxyacetophenone89-84-964 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-962 % similar 4′-Hydroxy-2′-methylacetophenone875-59-262 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-660 % similar 4-Acetyl-3-fluorophenol98619-07-960 % similar 2′-Chloroacetophenone2142-68-959 % similar 3-Hydroxyacetophenone121-71-156 % 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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