2,4,4'-Trihydroxybenzophenone

C13H10O4CAS 1470-79-7230.22 g/mol

Open in Covalent MOL file
OOHHOOH
KetonePhenol

Properties

Molecular formula
C13H10O4
Molar mass
230.22 g/mol
Exact mass
230.0579 Da
Melting point
203.4–204 °C
logP
2.03Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1470-79-7
SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1O
InChIKey
OKJFKPFBSPZTAH-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H

Weigh it out

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

Names and synonyms

6 names
  • 2,4,4′-Trihydroxybenzophenone
  • Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)-
  • Benzophenone, 2,4,4′-trihydroxy-
  • (2,4-Dihydroxyphenyl)(4-hydroxyphenyl)methanone
  • 2,4-Dihydroxyphenyl p-hydroxybenzyl ketone
  • NSC 76052

Work with 2,4,4'-Trihydroxybenzophenone

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-Dihydroxybenzophenone131-56-681 % similar 2,2',4,4'-Tetrahydroxybenzophenone131-55-579 % similar 2,3',4,4'-Tetrahydroxybenzophenone61445-50-978 % similar 2,4′-Dihydroxybenzophenone606-12-269 % similar 2,3,4,4′-Tetrahydroxybenzophenone31127-54-565 % similar 4,4′-Dihydroxybenzophenone611-99-461 % similar 2,4-Dihydroxybenzoic acid89-86-158 % similar 2′,4′-Dihydroxyacetophenone89-84-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trihydroxybenzophenone1143-72-2 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-0 4,4'-Dihydroxy-biphenyl-2-carboxylic acid53197-57-2 Visnagin82-57-5

Elsewhere

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