chempirical

3,4-Dihydroxybenzophenone

C13H10O3CAS 10425-11-3214.22 g/mol

Open in Covalent MOL file
OHOOH
KetonePhenol

Properties

Molecular formula
C13H10O3
Molar mass
214.22 g/mol
Exact mass
214.0630 Da
Melting point
134 °C
logP
2.33Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
10425-11-3
SMILES
O=C(c1ccccc1)c1ccc(O)c(O)c1
InChIKey
ARWCZKJISXFBGI-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H

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Names and synonyms

3 names
  • Methanone, (3,4-dihydroxyphenyl)phenyl-
  • Benzophenone, 3,4-dihydroxy-
  • (3,4-Dihydroxyphenyl)phenylmethanone

Work with 3,4-Dihydroxybenzophenone

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-Dibenzoylbenzene3016-97-562 % similar 1,3-Dibenzoylbenzene3770-82-961 % similar 4-Hydroxybenzophenone1137-42-460 % similar 3-Hydroxybenzophenone13020-57-059 % similar 4,6-Dibenzoylresorcinol3088-15-159 % similar Maclurin519-34-659 % similar 2-Hydroxybenzophenone117-99-756 % similar 2-Benzoylnaphthalene644-13-356 % similar

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

Same formula

Diphenyl carbonate102-09-0 Phenyl salicylate118-55-8 2,4-Dihydroxybenzophenone131-56-6 4-Acetyl-1-naphthalenecarboxylic acid131986-05-5 3-Hydroxyphenyl benzoate136-36-7 Phenyl 4-hydroxybenzoate17696-62-7 4-Phenoxybenzoic acid2215-77-2 2-Phenoxybenzoic acid2243-42-7

Elsewhere

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