chempirical

4,6-Diacetylresorcinol

C10H10O4CAS 2161-85-5194.19 g/mol

Open in Covalent MOL file
OOOHHO
KetonePhenol

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
182 °C
logP
1.50Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
2161-85-5
SMILES
CC(=O)c1cc(C(C)=O)c(O)cc1O
InChIKey
GEYCQLIOGQPPFM-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-5(11)7-3-8(6(2)12)10(14)4-9(7)13/h3-4,13-14H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 1,1′-(4,6-Dihydroxybenzene-1,3-diyl)diethanone
  • 1-(5-Acetyl-2,4-dihydroxyphenyl)ethanone
  • 1-(5-Acetyl-2,4-dihydroxyphenyl)ethan-1-one
  • 1,1′-(4,6-Dihydroxy-1,3-phenylene)diethanone
  • Ethanone, 1,1′-(4,6-dihydroxy-1,3-phenylene)bis-
  • Resorcinol, 4,6-diacetyl-
  • 1,1′-(4,6-Dihydroxy-1,3-phenylene)bis[ethanone]
  • 4,6-Diacetyl-1,3-benzenediol
  • Resodiacetophenone
  • 5′-Acetyl-2′,4′-dihydroxyacetophenone
  • 2′,4′-Dihydroxy-5′-acetylacetophenone
  • 1,3-Diacetyl-4,6-dihydroxybenzene
  • Resdiacetophenone
  • 1,5-Diacetyl-2,4-dihydroxybenzene

Work with 4,6-Diacetylresorcinol

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′-Hydroxy-4′,5′-dimethylacetophenone36436-65-470 % similar 2′,4′-Dihydroxyacetophenone89-84-962 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-260 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-860 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-458 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-558 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-258 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-158 % similar

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

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