IUPAC name
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
SMILES
CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1
Compound class
;
Therapeutic area
Common name
Loxoprofen
IUPAC name
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
SMILES
CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1
INCHI
InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
FORMULA
C15H18O3
Common name
Loxoprofen
IUPAC name
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
Molecular weight
246.302
clogP
3.361
clogS
-3.058
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
54.37
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF04295 | (2S)-2-methylcyclopentanone |
|
O=C1C(CCC1)C | 0.0003 |
| FDBF04296 | (2S)-2-phenylpropanoic acid |
|
c1ccc(cc1)C(C)C(=O)O | 0.0010 |
| FDBF04297 | (2S)-2-(p-tolyl)propanoic acid |
|
c1(ccc(cc1)C(C)C(=O)O)C | 0.0007 |
| FDBF04298 | cyclopentanone |
|
O=C1CCCC1 | 0.0003 |
7 ,
1
