chempirical

Phenyl benzoate

C13H10O2CAS 93-99-2198.22 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C13H10O2
Molar mass
198.22 g/mol
Exact mass
198.0681 Da
Density
1.28 g/mL
Melting point
71 °C
Boiling point
314 °C
logP
2.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
93-99-2
SMILES
O=C(Oc1ccccc1)c1ccccc1
InChIKey
FCJSHPDYVMKCHI-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, phenyl ester
  • Phenol, benzoate
  • NSC 37086
  • Phenyl ester benzoic acid
  • Phenoxy phenyl ketone

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

Similar compounds

1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-491 % similar Diphenyl isophthalate744-45-680 % similar 1,3-Phenylene dibenzoate94-01-980 % similar p-Biphenylyl benzoate2170-13-077 % similar Phenyl 4-hydroxybenzoate17696-62-771 % similar p-Chlorophenyl benzoate2005-08-571 % similar p-Hydroxyphenyl benzoate2444-19-171 % similar Diphenyl phthalate84-62-868 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Hydroxybenzophenone1137-42-4 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook