IUPAC name
2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Compound class
Therapeutic area
For symptomatic treatment of rheumatoid arthritis, juvenile rheumatoid arthritis and osteoarthritis. May be used to treat mild to moderate pain and for the management of dysmenorrhea. May be used to reduce fever. Has been used with some success for treating ankylosing spondylitis, gout and psoriatic arthritis. May reduce pain, fever and inflammation of pericarditis. May be used IV with opiates to relieve moderate to severe pain. Ibuprofen lysine may be used IV to treat patent ductus arteriosus (PDA) in premature neonates.
Common name
Ibuprofen
IUPAC name
2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
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)
FORMULA
C13H18O2
Common name
Ibuprofen
IUPAC name
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 |
| FDBF01292 | (2R)-2-phenylpropanoic acid |
|
c1(ccccc1)C(C)C(=O)O | 0.0014 |
| FDBF02345 | (2R)-2-(p-tolyl)propanoic acid |
|
c1(ccc(cc1)C(C)C(=O)O)C | 0.0003 |
