chempirical

3,5-Dihydroxyacetophenone

C8H8O3CAS 51863-60-6152.15 g/mol

Open in Covalent MOL file
OOHOH
KetonePhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
147–148 °C
logP
1.30Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
51863-60-6
SMILES
CC(=O)c1cc(O)cc(O)c1
InChIKey
WQXWIKCZNIGMAP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(3,5-dihydroxyphenyl)-
  • Acetophenone, 3′,5′-dihydroxy-
  • 1-(3,5-Dihydroxyphenyl)ethanone
  • 3′,5′-Dihydroxyacetophenone
  • 3′,5′-Dihydroxyphenyl methyl ketone
  • 1-(3,5-Dihydroxyphenyl)ethan-1-one

Work with 3,5-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

3-Hydroxyacetophenone121-71-164 % similar Piceol99-93-462 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-153 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-152 % similar 1,4-Diacetylbenzene1009-61-650 % similar 3',5'-Difluoroacetophenone123577-99-150 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-950 % similar Acetosyringone2478-38-850 % 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

PubChem CAS Common Chemistry NIST WebBook