4-Hydroxybenzophenone

C₁₃H₁₀O₂CAS 1137-42-4198.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀O₂
Molar mass: 198.22 g/mol
Exact mass: 198.0681 Da
Melting point: 132–135 °C
Boiling point: 320–325 °C
logP: 2.62Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation29.8% of notifiers
H319 Causes serious eye irritation29.8% of notifiers
H335 May cause respiratory irritation28.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure66% of notifiers
H412 Harmful to aquatic life with long lasting effects66.5% of notifiers

Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1137-42-4

SMILES

O=C(c1ccccc1)c1ccc(O)cc1

InChIKey

NPFYZDNDJHZQKY-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H

Weigh it out

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

Names and synonyms

12 names

Methanone, (4-hydroxyphenyl)phenyl-
Benzophenone, 4-hydroxy-
Benzophenone, p-hydroxy-
(4-Hydroxyphenyl)phenylmethanone
p-Hydroxybenzophenone
p-Benzoylphenol
4-Benzoylphenol
4′-Hydroxybenzophenone
4-Hydroxyphenyl phenyl ketone
NSC 1887
N-(4-Hydroxylphenyl)-N′-phenylurea
1-(4-Hydroxyphenyl)-1-phenylmethanone

Work with 4-Hydroxybenzophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Dihydroxybenzophenone611-99-482 % similar 1,4-Dibenzoylbenzene3016-97-573 % similar Benzophenone119-61-968 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-764 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-364 % similar 4,4'-(1,2-Diphenylethene-1,2-diyl)diphenol68578-79-064 % similar 4-(1,2,2-Triphenylvinyl)phenol76115-06-564 % similar 2,4′-Dihydroxybenzophenone606-12-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxybenzophenone117-99-7 3-Hydroxybenzophenone13020-57-0 3-(1-Naphthalenyl)-2-propenoic acid13026-12-5 2-Phenoxybenzaldehyde19434-34-5 3-Phenoxybenzaldehyde39515-51-0 4-Phenoxybenzaldehyde67-36-7 [1,1′-Biphenyl]-3-carboxylic acid716-76-7 Xanthydrol90-46-0

Elsewhere

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