HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methyl-5-(3-phenoxybenzoyl)pyridine
2-Methyl-5-(3-phenoxybenzoyl)pyridine · (6-Methylpyridin-3-yl)(3-phenoxyphenyl)methanone · Methanone, (6-methyl-3-pyridinyl)(3-phenoxyphenyl)-
Identifiers & Physical Properties
| CAS No. | 1187170-15-5 |
|---|---|
| Molecular formula | C19H15NO2 |
| Average molar mass | 289.3 g/mol |
| Monoisotopic mass | 289.11027872 g/mol |
| SMILES | Cc1ccc(C(=O)c2cccc(Oc3ccccc3)c2)cn1 |
| InChIKey | BDNIDVPEHAMPHH-UHFFFAOYSA-N |
| PubChem CID | 49762574 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 39.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 364 |
| Boiling point | 459.0±35.0 °C(Predicted) |
| Density | 1.168±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.56±0.10(Predicted) |