HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Methylphenoxy)-2-phenyl-1H-isoindole-1,3(2H)-dione
Identifiers & Physical Properties
| CAS No. | 63181-79-3 |
|---|---|
| Molecular formula | C21H15NO3 |
| Average molar mass | 329.3 g/mol |
| Monoisotopic mass | 329.10519334 g/mol |
| SMILES | Cc1ccc(Oc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 |
| InChIKey | LIQFZODRQAHYRN-UHFFFAOYSA-N |
| PubChem CID | 12377040 |
| DTXSID | DTXSID70495161 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 46.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 505 |