methyl 4-{[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate
methyl 4-{[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-3853 |
| Compound Name: | methyl 4-{[(4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C20 H18 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(C)cc(c12)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2694 |
| logD: | 4.2694 |
| logSw: | -4.7666 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.134 |
| InChI Key: | RJTWGKBFUVTPMP-UHFFFAOYSA-N |