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Fenofibrate

C20H21ClO4 — CID 3339

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACpropan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChIKeyYMTINGFKWWXKFG-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.68
Rot. Bonds6

About Fenofibrate

Fenofibrate (PubChem CID 3339) has the molecular formula C20H21ClO4 and a molecular weight of 360.84 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound NameFenofibrate
PubChem CID3339
Molecular FormulaC20H21ClO4
Molecular Weight360.84 g/mol
Exact Mass360.11
IUPAC Namepropan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChIKeyYMTINGFKWWXKFG-UHFFFAOYSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Choline Fenofibrate
CID 11350701
Methyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoate
CID 30602
4-Chloro-4'-methoxychalcone
CID 5302715
4'-Chloro-4-methoxychalcone
CID 5337609
1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653
4-(4-Chlorobenzoyl)phenyl 2,2-dimethylpropanoate
CID 14010407
Methyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CID 3038933

Frequently Asked Questions

What is the IUPAC name of Fenofibrate?
The IUPAC name of Fenofibrate (CID 3339) is propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for Fenofibrate?
The canonical SMILES for Fenofibrate is CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of Fenofibrate?
The InChIKey is YMTINGFKWWXKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3.
What are the key properties of Fenofibrate?
Fenofibrate has a molecular weight of 360.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Fenofibrate is sourced from PubChem (CID 3339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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