1-phenylethanol | SBID = 2676 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | 1.42 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 104.6 | ||
| Sum Formula: | C8H10O | ||
| M / g/mol: | 122.16 | ||
| Complexity: | 74.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 1-phenylethanol
- Preferred Abbreviation: 1-Phenylethanol
- IUPAC Name: 1-phenylethanol
- CAS:
- CID: 7409
- InChiKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
- CanoSmiles: CC(C1=CC=CC=C1)O
- IsoSmiles: CC(C1=CC=CC=C1)O
