p-Hydroxyphenyl benzoate

C₁₃H₁₀O₃CAS 2444-19-1214.22 g/mol

Open in Covalent MOL file

Ester Phenol

Properties

Molecular formula: C₁₃H₁₀O₃
Molar mass: 214.22 g/mol
Exact mass: 214.0630 Da
Melting point: 163–164 °C
logP: 2.61Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation11.1% of notifiers
H317 May cause an allergic skin reaction88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2444-19-1

SMILES

O=C(Oc1ccc(O)cc1)c1ccccc1

InChIKey

JFAXJRJMFOACBO-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O3/c14-11-6-8-12(9-7-11)16-13(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

9 names

1,4-Benzenediol, 1-benzoate
Hydroquinone, monobenzoate
1,4-Benzenediol, monobenzoate
Hydroquinone, benzoate
Hydroquinone, benzoate (mono-)
4-(Benzoyloxy)phenol
4-Hydroxyphenyl benzoate
NSC 48470
p-Hydroquinone monobenzoate

Work with p-Hydroxyphenyl benzoate

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

Phenyl benzoate93-99-271 % similar Benzoic acid biphenyl-4-yl ester2170-13-068 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-466 % similar p-Chlorophenyl benzoate2005-08-564 % similar Diphenyl isophthalate744-45-659 % similar 1,3-Phenylene dibenzoate94-01-959 % similar β-Naphthyl benzoate93-44-757 % similar Benzyl 4-hydroxybenzoate94-18-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenyl carbonate102-09-0 3,4-Dihydroxybenzophenone10425-11-3 Phenyl salicylate118-55-8 2,4-Dihydroxybenzophenone131-56-6 4-Acetyl-1-naphthalenecarboxylic acid131986-05-5 3-Hydroxyphenyl benzoate136-36-7 Phenylparaben17696-62-7 4-Phenoxybenzoic acid2215-77-2

Elsewhere

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