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Fenofibrate
CAS: 49562-28-9 | C20H21ClO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
49562-28-9
Molecular Formula:
C20H21ClO4
Molecular Mass:
360.84 g/mol
Names and Synonyms:
Fenofibrate
Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester
Isopropyl 2-[p-(p-chlorobenzoyl)phenoxy]-2-methylpropionate
LF 178
Lipanthyl
Procetofen
Fenofibrate
TriCor
Lipantil
Lipirex
Fenogal
Lipofene
Lipoclar
Lipidil
Secalip
Lipsin
Elasterin
Ankebin
Protolipan
Liposit
Procetofene
Nolipax
Procetoken
Fenobrate
Fenotard
NSC 281319
Lipidil Supra
Clorofibrate
Antara
MeltDose
Lipicard
Lipivim
Fenorate
Isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Lipanthylnano
Identifiers:
SMILES:
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
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
Key Properties
Melting Point
80.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.84 g/mol | CAS Common Chemistry |
| 360.837 g/mol | RDKit | |
| 360.112836832 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 97.26150000000003 | RDKit |
