1,4-phenylenedimethanol | SBID = 1880 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H10O2 | ||
| M / g/mol: | 138.1638 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic
- Name: 1,4-phenylenedimethanol
- Preferred Abbreviation: 1,4-phenylenedimethanol
- IUPAC Name:
- CAS: 589-29-7
- CID: -792
- InChiKey: BWVAOONFBYYRHY-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
- CanoSmiles: OCc1ccc(cc1)CO
- IsoSmiles: OCC1=CC=C(CO)C=C1
