Propofol | SBID = 1232 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 154.3 | ||
| Sum Formula: | C12H18O | ||
| M / g/mol: | 178.27 | ||
| Complexity: | 135.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: Propofol
- Preferred Abbreviation: propofol
- IUPAC Name: 2,6-di(propan-2-yl)phenol
- CAS: 2078-54-8
- CID: 4943
- InChiKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
- InChi: InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
- CanoSmiles: CC(C)C1=C(C(=CC=C1)C(C)C)O
- IsoSmiles: CC(C)C1=C(C(=CC=C1)C(C)C)O
