methyl 4-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | D715-1356 |
| Compound Name: | methyl 4-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C24 H18 O6 |
| Smiles: | COC(c1ccc(COc2cc(c3C(C=C(c4ccccc4)Oc3c2)=O)O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5891 |
| logD: | 5.5856 |
| logSw: | -5.5594 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.735 |
| InChI Key: | DWHMSCZNTMLIDR-UHFFFAOYSA-N |