2,3,4,4′-Tetrahydroxybenzophenone

C₁₃H₁₀O₅CAS 31127-54-5246.22 g/mol

Properties

Molecular formula: C₁₃H₁₀O₅
Molar mass: 246.22 g/mol
Exact mass: 246.0528 Da
Melting point: 219 °C
logP: 1.74Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 2

Hazards

Not classified as hazardous under GHS by 56 ECHA notifiers. Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

31127-54-5

SMILES

O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O

InChIKey

ZRDYULMDEGRWRC-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H

Weigh it out

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Names and synonyms

6 names

2,3,4,4'-Tetrahydroxybenzophenone
Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-
Benzophenone, 2,3,4,4′-tetrahydroxy-
(4-Hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
4,2′,3′,4′-Tetrahydroxybenzophenone
HBP 2344

Work with 2,3,4,4′-Tetrahydroxybenzophenone

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

2,3,4-Trihydroxybenzophenone1143-72-273 % similar Exifone52479-85-368 % similar 2,4,4'-Trihydroxybenzophenone1470-79-765 % similar 2,4′-Dihydroxybenzophenone606-12-260 % similar 4,4′-Dihydroxybenzophenone611-99-457 % similar 2,4-Dihydroxybenzophenone131-56-653 % similar 2,3,4-Trihydroxybenzoic acid610-02-651 % similar 4-Hydroxybenzophenone1137-42-450 % similar

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

Same formula

3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid119736-16-2 Pimpinellin131-12-4 2,2',4,4'-Tetrahydroxybenzophenone131-55-5 Isopimpinellin482-27-9 2,3',4,4'-Tetrahydroxybenzophenone61445-50-9

Elsewhere

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