4-ethylphenol | SBID = 2340 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| Hydrophilicity (Cheng XLogP3): | 2.58 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 105.0 | ||
| Sum Formula: | C8H10O | ||
| M / g/mol: | 122.16 | ||
| Complexity: | 72.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 4-ethylphenol
- Preferred Abbreviation: 4-ETHYLPHENOL
- IUPAC Name: 4-ethylphenol
- CAS:
- CID: 31242
- InChiKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
- CanoSmiles: CCC1=CC=C(C=C1)O
- IsoSmiles: CCC1=CC=C(C=C1)O
