51146-56-6
C₁₃H₁₈O₂·206.280 g/mol·CID 39912
IUPAC: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Also known as: DEXIBUPROFEN, Dexibuprofene, Dexibuprofeno, Seractil, d-Ibuproten (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
206.280g/mol
Exact Mass
206.130680Da
Monoisotopic Mass
206.130680Da
XLogP
3.5
Polar Surface Area
37.3Ų
Complexity
203
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
4
Heavy Atoms
15
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 206.3 g/mol
MW ≤ 500
✓ 3.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritationH361Suspected of damaging fertility or the unborn child
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
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