7-chloro-2-(3,4-diethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-chloro-2-(3,4-diethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
7-chloro-2-(3,4-diethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8017-1061 |
| Compound Name: | 7-chloro-2-(3,4-diethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 360.79 |
| Molecular Formula: | C19 H17 Cl O5 |
| Smiles: | CCOc1ccc(cc1OCC)C1=C(C(c2ccc(cc2O1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.8407 |
| logD: | 3.8256 |
| logSw: | -4.1225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.769 |
| InChI Key: | LPKSIHWOLZNYDR-UHFFFAOYSA-N |