methyl 4-{[(4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | 5976-1757 |
| Compound Name: | methyl 4-{[(4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C24 H18 O5 |
| Smiles: | COC(c1ccc(COc2ccc3C(C(=COc3c2)c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5049 |
| logD: | 4.5049 |
| logSw: | -4.7218 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.262 |
| InChI Key: | ABLFGCIXEPBQBR-UHFFFAOYSA-N |