(S)-(+)-1-Phenyl-1,2-ethanediol | SBID = 174 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| 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: | 112.0 | ||
| Sum Formula: | C8H10O2 | ||
| M / g/mol: | 138.166 | ||
| Complexity: | 87.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: aromatic
- Name: (S)-(+)-1-Phenyl-1,2-ethanediol
- Preferred Abbreviation: (S)-(+)-1-Phenyl-1,2-ethanediol
- IUPAC Name: (1S)-1-phenylethane-1,2-diol
- CAS: 25779-13-9
- CID: 643312
- InChiKey: PWMWNFMRSKOCEY-MRVPVSSYSA-N
- InChi: InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1
- CanoSmiles: C1=CC=C(C=C1)C(CO)O
- IsoSmiles: C1=CC=C(C=C1)[C@@H](CO)O
