IUPAC name
(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILES
[H][C@@](C)(C(O)=O)C1=CC=C(CC(C)C)C=C1
Compound class
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives;
Therapeutic area
Common name
Dexibuprofen
IUPAC name
(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILES
[H][C@@](C)(C(O)=O)C1=CC=C(CC(C)C)C=C1
INCHI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
FORMULA
C13H18O2
Common name
Dexibuprofen
IUPAC name
(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular weight
206.281
clogP
3.151
clogS
-2.835
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.3
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| 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 |
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