HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenyl-4H-chromen-4-one
7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenyl-4H-chromen-4-one · 4H-1-Benzopyran-4-one, 7-[2-(4-methyl-1-piperidinyl)ethoxy]-3-phenyl-
![7-[2-(4-methylpiperidin-1-yl)ethoxy]-3-phenyl-4H-chromen-4-one molecular structure](/img/chemical/178952913.png)
Identifiers & Physical Properties
| CAS No. | 904006-82-2 |
|---|---|
| Molecular formula | C23H25NO3 |
| Average molar mass | 363.4 g/mol |
| SMILES | CC1CCN(CCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1 |
| InChIKey | WTDXPLBIVRTXGM-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 38.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 532 |
| Boiling point | 533.7±50.0 °C(Predicted) |
| Density | 1.160±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.56±0.10(Predicted) |