4-Phenoxybenzoic acid

C13H10O3CAS 2215-77-2214.22 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
159 °C
Boiling point
198–205 °C (at 18 Torr)
logP
3.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2215-77-2
SMILES
O=C(O)c1ccc(Oc2ccccc2)cc1
InChIKey
RYAQFHLUEMJOMF-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 4-phenoxy-
  • Benzoic acid, p-phenoxy-
  • p-Phenoxybenzoic acid
  • NSC 246039

Work with 4-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

4,4′-Oxybis[benzoic acid]2215-89-683 % similar 3-Phenoxybenzoic acid3739-38-670 % similar Benzoic acid65-85-068 % similar 4,4'-Diphenoxybenzophenone14984-21-564 % similar 4-(1,2,2-Triphenyl vinyl)benzoic acid197153-87-064 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-264 % similar 4-(Benzyloxy)benzoic acid1486-51-764 % similar Terephthalic acid100-21-063 % 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 Phenylparaben17696-62-7 2-Phenoxybenzoic acid2243-42-7

Elsewhere

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