methyl 4-({[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | Y040-8215 |
| Compound Name: | methyl 4-({[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C22 H20 O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5837 |
| logD: | 3.5837 |
| logSw: | -3.7041 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.14 |
| InChI Key: | RCEIQGFYCRTGBS-UHFFFAOYSA-N |