IUPAC name
4-oxo-4-(4-phenylphenyl)butanoic acid
SMILES
OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
Compound class
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives;
Therapeutic area
Common name
Fenbufen
IUPAC name
4-oxo-4-(4-phenylphenyl)butanoic acid
SMILES
OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
INCHI
InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
FORMULA
C16H14O3
Common name
Fenbufen
IUPAC name
4-oxo-4-(4-phenylphenyl)butanoic acid
Molecular weight
254.281
clogP
3.537
clogS
-3.688
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
54.37
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00098 | acetaldehyde |
|
CC=O | 0.0182 |
| FDBF01007 | benzaldehyde |
|
c1(ccccc1)C=O | 0.0086 |
| FDBF01469 | 1-phenylethanone |
|
c1(ccccc1)C(=O)C | 0.0031 |
| FDBF01911 | 4-oxobutanoic acid |
|
O=CCCC(=O)O | 0.0007 |
7 ,
1
