HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Benzylsulfonyl-1,1,2-triphenylethanol
Identifiers & Physical Properties
| CAS No. | 16248-66-1 |
|---|---|
| Molecular formula | C27H24O3S |
| Average molar mass | 428.5 g/mol |
| Monoisotopic mass | 428.1446158 g/mol |
| SMILES | O=S(=O)(Cc1ccccc1)C(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 |
| InChIKey | LVNDFAKBQMCCEG-UHFFFAOYSA-N |
| PubChem CID | 421663 |
| DTXSID | DTXSID40329601 |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 62.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 610 |