2,3',4,4'-Tetrahydroxybenzophenone

C₁₃H₁₀O₅CAS 61445-50-9246.22 g/mol

Open in Covalent MOL file

Properties

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

61445-50-9

SMILES

C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)O)O)O)O

InChIKey

UQQYIAVMUUJWGX-UHFFFAOYSA-N

InChI

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

Weigh it out

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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

2,4,4'-Trihydroxybenzophenone1470-79-778 % similar 2,4-Dihydroxybenzophenone131-56-669 % similar Maclurin519-34-666 % similar 3,4-Dihydroxybenzophenone10425-11-356 % similar 2,4′-Dihydroxybenzophenone606-12-254 % similar Hydroxyquinol533-73-353 % similar 2,4-Dihydroxybenzoic acid89-86-153 % similar 2′,4′-Dihydroxyacetophenone89-84-951 % 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 2,3,4,4′-Tetrahydroxybenzophenone31127-54-5 Isopimpinellin482-27-9

Elsewhere

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