chempirical

Fenoprofen

C15H14O3CAS 31879-05-7242.27 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acidEther

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Boiling point
168–171 °C (at 0.11 Torr)
logP
3.67Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
31879-05-7
SMILES
CC(C(=O)O)c1cccc(Oc2ccccc2)c1
InChIKey
RDJGLLICXDHJDY-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)

Weigh it out

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Names and synonyms

14 names · show all
  • Benzeneacetic acid, α-methyl-3-phenoxy-
  • Hydratropic acid, m-phenoxy-
  • α-Methyl-3-phenoxybenzeneacetic acid
  • 2-(3-Phenoxyphenyl)propionic acid
  • 3-Phenoxyhydratropic acid
  • 2-(m-Phenoxyphenyl)propionic acid
  • (±)-m-Phenoxyhydratropic acid
  • Dl-2-(3-Phenoxyphenyl)propionic acid
  • (±)-2-(3-Phenoxyphenyl)propionic acid
  • (±)-Fenoprofen
  • Lilly 53858
  • 2-(3-Phenoxyphenyl)-1-propanoic acid
  • 2-(3-Phenoxyphenyl)propanoic acid
  • m-Phenoxyhydratropic acid

Work with Fenoprofen

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fenoprofen calcium salt dihydrate53746-45-5Salt

Similar compounds

2-Phenylpropionic acid492-37-566 % similar (+)-2-Phenylpropionic acid7782-24-366 % similar (-)-2-Phenylpropionic acid7782-26-566 % similar Ketoprofen22071-15-462 % similar (+)-Ketoprofen22161-81-562 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-655 % similar Flurbiprofen5104-49-451 % similar (-)-Flurbiprofen51543-40-951 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5

Elsewhere

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