chempirical

5′-Chloro-2′-hydroxyacetophenone

C8H7ClO2CAS 1450-74-4170.59 g/mol

Open in Covalent MOL file
OClHO
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Melting point
54 °C
Boiling point
126–128 °C (at 28 Torr)
logP
2.25Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1450-74-4
SMILES
CC(=O)c1cc(Cl)ccc1O
InChIKey
XTGCUDZCCIRWHL-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

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

Names and synonyms

8 names
  • Ethanone, 1-(5-chloro-2-hydroxyphenyl)-
  • Acetophenone, 5′-chloro-2′-hydroxy-
  • 1-(5-Chloro-2-hydroxyphenyl)ethanone
  • 2-Acetyl-4-chlorophenol
  • 2′-Hydroxy-5′-chloroacetophenone
  • NSC 46622
  • 3-Chloro-6-hydroxyacetophenone
  • 1-(5-Chloro-2-hydroxyphenyl)ethan-1-one

Work with 5′-Chloro-2′-hydroxyacetophenone

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-Chloro-2-hydroxyphenyl)ethanone6921-66-075 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-164 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-262 % similar 5-Chlorosalicylic acid321-14-262 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-560 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-160 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-459 % similar 2′,4′-Dichloroacetophenone2234-16-459 % 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 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6 Piperonyl chloride20850-43-5

Elsewhere

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