(r)-(-)-ibuprofen | SBID = 1767 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 172.2 | ||
| Sum Formula: | C13H18O2 | ||
| M / g/mol: | 206.28 | ||
| Complexity: | 203.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: (r)-(-)-ibuprofen
- Preferred Abbreviation: (R)-(-)-Ibuprofen
- IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
- CAS: 51146-57-7
- CID: 114864
- InChiKey: HEFNNWSXXWATRW-SNVBAGLBSA-N
- 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-/m1/s1
- CanoSmiles: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
- IsoSmiles: C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)O
