chempirical

2,5-Dihydroxyacetophenone

C8H8O3CAS 490-78-8152.15 g/mol

Open in Covalent MOL file
OOHHO
KetonePhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
202 °C
Boiling point
86 °C (at 0.01 Torr)
logP
1.30Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
490-78-8
SMILES
CC(=O)c1cc(O)ccc1O
InChIKey
WLDWSGZHNBANIO-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3

Weigh it out

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Names and synonyms

11 names
  • 2′,5′-Dihydroxyacetophenone
  • Ethanone, 1-(2,5-dihydroxyphenyl)-
  • Acetophenone, 2′,5′-dihydroxy-
  • 1-(2,5-Dihydroxyphenyl)ethanone
  • Quinacetophenone
  • 2-Acetylhydroquinone
  • 1-Acetyl-2,5-dihydroxybenzene
  • 2,5-Dihydroxy-1-acetylbenzene
  • 2-Acetyl-1,4-benzenediol
  • NSC 3759
  • 1-(2,5-Dihydroxyphenyl)ethan-1-one

Work with 2,5-Dihydroxyacetophenone

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′-Dihydroxyacetophenone89-84-973 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-569 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-266 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-464 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-164 % similar 4,6-Diacetylresorcinol2161-85-562 % similar 4′-Hydroxy-2′-methylacetophenone875-59-261 % similar 2'-Hydroxy-5'-isopropylacetophenone1634-36-260 % similar

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

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8

Elsewhere

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