Fenofibric acid

C₁₇H₁₅ClO₄CAS 42017-89-0318.75 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Ketone

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed99% of notifiers
H400 Very toxic to aquatic life41.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life53.1% of notifiers

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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)

Weigh it out

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

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

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.

Choline fenofibrate856676-23-8Salt

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

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