chempirical

p-Hydroxyphenyl benzoate

C13H10O3CAS 2444-19-1214.22 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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 p-Biphenylyl benzoate2170-13-068 % 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 Phenyl 4-hydroxybenzoate17696-62-7 4-Phenoxybenzoic acid2215-77-2

Elsewhere

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