7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8018-0713 |
| Compound Name: | 7-chloro-2-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 346.77 |
| Molecular Formula: | C18 H15 Cl O5 |
| Smiles: | CCOc1ccc(cc1OC)C1=C(C(c2ccc(cc2O1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.6951 |
| logD: | 3.68 |
| logSw: | -4.0662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.189 |
| InChI Key: | SSUJFMZEFRZZFM-UHFFFAOYSA-N |