HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Hexyloxyphenyl)-butan-2-one
Identifiers & Physical Properties
| CAS No. | 102789-80-0 |
|---|---|
| Molecular formula | C16H24O2 |
| Average molar mass | 248.36 g/mol |
| Monoisotopic mass | 248.17763 g/mol |
| SMILES | CCCCCCOc1ccc(CCC(C)=O)cc1 |
| InChIKey | LXPYGFLAILMNEP-UHFFFAOYSA-N |
| PubChem CID | 20249509 |
| DTXSID | DTXSID901299403 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 9 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 217 |