HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-6-phenylhexanol
Identifiers & Physical Properties
| Molecular formula | C21H26O3 |
|---|---|
| Average molar mass | 326.4 g/mol |
| Monoisotopic mass | 326.18819469 g/mol |
| SMILES | CC1=C(C)C(=O)C(C(CCCCCO)c2ccccc2)=C(C)C1=O |
| InChIKey | CHBLMEBKPKHDDH-UHFFFAOYSA-N |
| PubChem CID | 19088049 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 54.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 547 |