4-(2-amino-1-hydroxyethyl)phenol | SBID = 2208 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 66.5 | ||
| Ertl TPSA/Å2: | 66.48 | ||
| Hydrophilicity (PubChem XLogP): | -1.1 | ||
| Hydrophilicity (Cheng XLogP3): | -0.9 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 121.6 | ||
| Sum Formula: | C8H11NO2 | ||
| M / g/mol: | 153.18 | ||
| Complexity: | 111.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: 4-(2-amino-1-hydroxyethyl)phenol
- Preferred Abbreviation: octopamine
- IUPAC Name: 4-(2-amino-1-hydroxyethyl)phenol
- CAS:
- CID: 4581
- InChiKey: QHGUCRYDKWKLMG-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
- CanoSmiles: C1=CC(=CC=C1C(CN)O)O
- IsoSmiles: C1=CC(=CC=C1C(CN)O)O
