Clinofibrate

C28H36O6CAS 30299-08-2468.59 g/mol

Open in Covalent MOL file
OOOOHOOH
Carboxylic acidEther

Properties

Molecular formula
C28H36O6
Molar mass
468.59 g/mol
Exact mass
468.2512 Da
Melting point
143–146 °C
logP
6.20Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
10

Hazards

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

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Identifiers

CAS number
30299-08-2
SMILES
CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O
InChIKey
BMOVQUBVGICXQN-UHFFFAOYSA-N
InChI
InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)

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Names and synonyms

5 names
  • 1,1-Bis[4′-(1′′-carboxy-1′′-methylpropoxy)phenyl]cyclohexane
  • Butanoic acid, 2,2′-[cyclohexylidenebis(4,1-phenyleneoxy)]bis[2-methyl-
  • 2,2′-[Cyclohexylidenebis(4,1-phenyleneoxy)]bis[2-methylbutanoic acid]
  • S 8527
  • Lipoclin

Work with Clinofibrate

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

1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-141 % similar 1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-839 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-738 % similar 2-Ethyl-2-phenylbutyric acid5465-28-138 % similar Fibric acid943-45-338 % similar Clofibric acid882-09-738 % similar 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid862574-88-737 % similar (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid13402-96-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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