chempirical

3-Phenoxybenzoic acid

C13H10O3CAS 3739-38-6214.22 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
149–150 °C
logP
3.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
3739-38-6
SMILES
O=C(O)c1cccc(Oc2ccccc2)c1
InChIKey
NXTDJHZGHOFSQG-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 3-phenoxy-
  • Benzoic acid, m-phenoxy-
  • m-Phenoxybenzoic acid
  • m-(Phenyloxy)benzoic acid
  • 3-PBA

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxybenzoic acid586-38-967 % similar Isophthalic acid121-91-564 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-763 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-961 % similar 3-Ethoxybenzoic acid621-51-261 % similar 3-(Acetyloxy)benzoic acid6304-89-861 % similar Benzoic acid65-85-061 % similar M-Toluic acid99-04-758 % 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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