chempirical

Phenyl 4-hydroxybenzoate

C13H10O3CAS 17696-62-7214.22 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
170–174 °C
logP
2.61Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
17696-62-7
SMILES
O=C(Oc1ccccc1)c1ccc(O)cc1
InChIKey
GJLNWLVPAHNBQN-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,14H

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 4-hydroxy-, phenyl ester
  • Benzoic acid, p-hydroxy-, phenyl ester
  • Phenyl p-hydroxybenzoate
  • 4-(Phenoxycarbonyl)phenol
  • p-Hydroxybenzoic acid phenyl ester
  • 4-Hydroxybenzoic acid phenyl ester

Work with Phenyl 4-hydroxybenzoate

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

p-Hydroxyphenyl benzoate2444-19-186 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-478 % similar Phenyl benzoate93-99-271 % similar Diphenyl isophthalate744-45-659 % similar 1,3-Phenylene dibenzoate94-01-959 % similar Benzyl 4-hydroxybenzoate94-18-858 % similar p-Biphenylyl benzoate2170-13-058 % similar Diphenyl phthalate84-62-855 % 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 4-Phenoxybenzoic acid2215-77-2 2-Phenoxybenzoic acid2243-42-7

Elsewhere

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