chempirical

Fenofibric acid

C17H15ClO4CAS 42017-89-0318.75 g/mol

Open in Covalent MOL file
OOClOHO
Aryl halideCarboxylic acidEtherKetone

Properties

Molecular formula
C17H15ClO4
Molar mass
318.75 g/mol
Exact mass
318.0659 Da
Melting point
179–180 °C
logP
3.81Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
42017-89-0
SMILES
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
InChIKey
MQOBSOSZFYZQOK-UHFFFAOYSA-N
InChI
InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)

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Names and synonyms

10 names
  • Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-
  • 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid
  • 2-[p-(p-Chlorobenzoyl)phenoxy]-2-methylpropionic acid
  • LF 178 acid
  • LF 153
  • 2-[4′-(p-Chlorobenzoyl)phenoxy]-2-methylpropionic acid
  • Procetofenic acid
  • α-1081
  • NSC 281318
  • FNF acid

Work with Fenofibric 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

Clofibric acid882-09-783 % similar Bezafibrate41859-67-064 % similar Fenofibrate49562-28-962 % similar Fibric acid943-45-359 % similar Clofibrate637-07-052 % similar Ciprofibrate52214-84-351 % similar 4,4'-Dichlorobenzophenone90-98-250 % similar 4-Chlorobenzophenone134-85-049 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook