1-methoxyethylbenzene | SBID = 2685 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 9.2 | ||
| Ertl TPSA/Å2: | 9.23 | ||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| Hydrophilicity (Cheng XLogP3): | 1.97 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 117.6 | ||
| Sum Formula: | C9H12O | ||
| M / g/mol: | 136.19 | ||
| Complexity: | 84.0 | ||
| Number of Conformers: | 7.0 |
Identifiers
- Tags:
- Name: 1-methoxyethylbenzene
- Preferred Abbreviation: (1-METHOXYETHYL)BENZENE
- IUPAC Name: 1-methoxyethylbenzene
- CAS:
- CID: 19913
- InChiKey: PLKSMSKTENNPEJ-UHFFFAOYSA-N
- InChi: InChI=1S/C9H12O/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3
- CanoSmiles: CC(C1=CC=CC=C1)OC
- IsoSmiles: CC(C1=CC=CC=C1)OC
