chempirical

2-Phenoxybenzoic acid

C13H10O3CAS 2243-42-7214.22 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C13H10O3
Molar mass
214.22 g/mol
Exact mass
214.0630 Da
Melting point
113 °C
Boiling point
355 °C
logP
3.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
2243-42-7
SMILES
O=C(O)c1ccccc1Oc1ccccc1
InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 2-phenoxy-
  • Benzoic acid, o-phenoxy-
  • o-Phenoxybenzoic acid
  • NSC 39656
  • 2-(Phenyloxy)benzoic acid
  • 2-PBA

Work with 2-Phenoxybenzoic acid

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

O-Anisic acid579-75-961 % similar 2-Phenoxynicotinic acid35620-71-459 % similar 2-(Benzyloxy)benzoic acid14389-86-758 % similar Phthalic acid88-99-357 % similar 2-Ethoxybenzoic acid134-11-256 % similar Aspirin50-78-256 % similar 3-Phenoxybenzoic acid3739-38-654 % similar Fosfosal6064-83-154 % 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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