4-propan-2-ylphenol | SBID = 2152 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| Hydrophilicity (Cheng XLogP3): | 2.9 | ||
| 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: | 117.4 | ||
| Sum Formula: | C9H12O | ||
| M / g/mol: | 136.19 | ||
| Complexity: | 90.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 4-propan-2-ylphenol
- Preferred Abbreviation: 4-Isopropylphenol
- IUPAC Name: 4-propan-2-ylphenol
- CAS:
- CID: 7465
- InChiKey: YQUQWHNMBPIWGK-UHFFFAOYSA-N
- InChi: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
- CanoSmiles: CC(C)C1=CC=C(C=C1)O
- IsoSmiles: CC(C)C1=CC=C(C=C1)O
