methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate
methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-1830 |
| Compound Name: | methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C21 H20 O5 |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC1=O)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8464 |
| logD: | 4.8464 |
| logSw: | -5.0817 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.648 |
| InChI Key: | NONQWJZWYMAWLW-UHFFFAOYSA-N |