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Molecule
Fenofibrate
CAS: 49562-28-9 · C20H21ClO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 49562-28-9
- Molecular Formula
- C20H21ClO4
- Molecular Mass
- 360.84 g/mol
Identifiers
CAS Registry Number
49562-28-9
SMILES
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChI Key
YMTINGFKWWXKFG-UHFFFAOYSA-N
InChI
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
Names and Synonyms
- Fenofibrate Common Name
- Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester Synonym
- Isopropyl 2-[p-(p-chlorobenzoyl)phenoxy]-2-methylpropionate Synonym
- LF 178 Synonym
- Lipanthyl Synonym
- Procetofen Synonym
- Fenofibrate Synonym
- TriCor Synonym
- Lipantil Synonym
- Lipirex Synonym
- Fenogal Synonym
- Lipofene Synonym
- Lipoclar Synonym
- Lipidil Synonym
- Secalip Synonym
- Lipsin Synonym
- Elasterin Synonym
- Ankebin Synonym
- Protolipan Synonym
- Liposit Synonym
- Procetofene Synonym
- Nolipax Synonym
- Procetoken Synonym
- Fenobrate Synonym
- Fenotard Synonym
- NSC 281319 Synonym
- Lipidil Supra Synonym
- Clorofibrate Synonym
- Antara Synonym
- MeltDose Synonym
- Lipicard Synonym
- Lipivim Synonym
- Fenorate Synonym
- Isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Synonym
- Lipanthylnano Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.84 g/mol | CAS Common Chemistry |
| 360.837 g/mol | RDKit | |
| 360.834 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC(C)C)C(OC1=CC=C(C=C1)C(=O)C2=CC=C(Cl)C=C2)(C)C | CAS Common Chemistry |
| InChI | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=YMTINGFKWWXKFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80.5 °C | CAS Common Chemistry |
| Name | Fenofibrate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 4.680000000000004 | RDKit |
| 4.68 | RDKit | |
| 4.22 | chempirical lib | |
| Molar Refractivity | 97.26150000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 360.112836832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 360.84 g/mol. Edit any field — others recompute live.
