methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]oxy}methyl)benzoate
methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | 5695-0513 |
| Compound Name: | methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]oxy}methyl)benzoate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C25 H20 O6 |
| Smiles: | COC(c1ccc(COc2ccc3c(c2)C(C=C(c2ccc(cc2)OC)O3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6463 |
| logD: | 5.6463 |
| logSw: | -5.5828 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.73 |
| InChI Key: | DJMQADKKZAAOSJ-UHFFFAOYSA-N |