4-Ethoxyphenol | SBID = 45 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 29.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 113.9 | ||
| Sum Formula: | C8H10O2 | ||
| M / g/mol: | 138.166 | ||
| Complexity: | 85.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags: aromatic
- Name: 4-Ethoxyphenol
- Preferred Abbreviation: 4-Ethoxyphenol
- IUPAC Name: 4-ethoxyphenol
- CAS: 622-62-8
- CID: 12150
- InChiKey: LKVFCSWBKOVHAH-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
- CanoSmiles: CCOC1=CC=C(C=C1)O
- IsoSmiles: CCOC1=CC=C(C=C1)O
