chempirical

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

C8H7ClO2CAS 6305-04-0170.59 g/mol

Open in Covalent MOL file
OClOH
Alkyl halideKetonePhenol

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Melting point
145–146 °C
logP
1.81Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
6305-04-0
SMILES
O=C(CCl)c1ccc(O)cc1
InChIKey
PPPIAEPDQPCIIM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2

Weigh it out

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

Names and synonyms

12 names
  • Ethanone, 2-chloro-1-(4-hydroxyphenyl)-
  • Acetophenone, 2-chloro-4′-hydroxy-
  • ω-Chloro-4-hydroxyacetophenone
  • p-(Chloroacetyl)phenol
  • 4′-Hydroxy-2-chloroacetophenone
  • 2-Chloro-4′-hydroxyacetophenone
  • 4-Hydroxy-α-chloroacetophenone
  • 4-Hydroxyphenacyl chloride
  • p-Hydroxyphenacyl chloride
  • Chlorophenacyle
  • NSC 41671
  • 2-Chloro-1-(4-hydroxyphenyl)ethan-1-one

Work with 2-Chloro-1-(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

1-(4-Bromophenyl)-2-chloroethanone4209-02-366 % similar 2,4′-Dichloroacetophenone937-20-262 % similar Phenacyl chloride532-27-461 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-560 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-960 % similar 2-Chloro-4′-fluoroacetophenone456-04-260 % similar 4′-Hydroxypropiophenone70-70-260 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-159 % 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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