HuagongsheHuagongshe Chemistry Print Report · For research reference only
trans-2',3-Dihydroxy-4'-methoxychalcone
2',3-Dihydroxy-4'-methoxychalcone · trans-2',3-Dihydroxy-4'-methoxychalcone · 1-(2-Hydroxy-4-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one · 2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxyphenyl)-
Identifiers & Physical Properties
| CAS No. | 32274-69-4 |
|---|---|
| Molecular formula | C16H14O4 |
| Average molar mass | 270.28 g/mol |
| Monoisotopic mass | 270.08920892 g/mol |
| SMILES | COc1ccc(C(=O)C=Cc2cccc(O)c2)c(O)c1 |
| InChIKey | REZLOMBHXVOHSX-UHFFFAOYSA-N |
| PubChem CID | 2780607 |
| DTXSID | DTXSID10381675 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 66.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 352 |
| Boiling point | 522.1±50.0 °C(Predicted) |
| Density | 1.282±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.22±0.35(Predicted) |