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 |