methyl 4-{[(4-methyl-2-oxo-3-phenyl-2H-1-benzopyran-6-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-methyl-2-oxo-3-phenyl-2H-1-benzopyran-6-yl)oxy]methyl}benzoate
methyl 4-{[(4-methyl-2-oxo-3-phenyl-2H-1-benzopyran-6-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | G856-6214 |
| Compound Name: | methyl 4-{[(4-methyl-2-oxo-3-phenyl-2H-1-benzopyran-6-yl)oxy]methyl}benzoate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C25 H20 O5 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OCc1ccc(cc1)C(=O)OC)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3161 |
| logD: | 5.3161 |
| logSw: | -5.6093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.29 |
| InChI Key: | NPKMZDGEEOORMX-UHFFFAOYSA-N |