1-phenylethane-1,2-diol | SBID = 2677 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | 40.46 | ||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| Hydrophilicity (Cheng XLogP3): | 0.37 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 112.2 | ||
| Sum Formula: | C8H10O2 | ||
| M / g/mol: | 138.16 | ||
| Complexity: | 87.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: 1-phenylethane-1,2-diol
- Preferred Abbreviation: 1-Phenyl-1,2-ethanediol
- IUPAC Name: 1-phenylethane-1,2-diol
- CAS:
- CID: 7149
- InChiKey: PWMWNFMRSKOCEY-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
- CanoSmiles: C1=CC=C(C=C1)C(CO)O
- IsoSmiles: C1=CC=C(C=C1)C(CO)O
