HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-Methoxy-phenyl)-4-phenyl-1H-pyrrole
2-(P-METHOXYPHENYL)-4-PHENYLPYRROLE · 2-((4-Methoxyphenyl)-4-phenyl)pyrrole · 1H-Pyrrole, 2-(4-methoxyphenyl)-4-phenyl-
Identifiers & Physical Properties
| CAS No. | 861033-77-4 |
|---|---|
| Molecular formula | C17H15NO |
| Average molar mass | 249.31 g/mol |
| Monoisotopic mass | 249.1153641 g/mol |
| SMILES | COc1ccc(-c2cc(-c3ccccc3)c[nH]2)cc1 |
| InChIKey | GCIKVDVHAZNBET-UHFFFAOYSA-N |
| PubChem CID | 11368677 |
| DTXSID | DTXSID00463792 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 25 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 266 |