methyl 4-{[(3-ethyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3-ethyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(3-ethyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
Compound ID: | Y040-0625 |
Compound Name: | methyl 4-{[(3-ethyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
Molecular Weight: | 366.41 |
Molecular Formula: | C22 H22 O5 |
Smiles: | CCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1ccc(cc1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 5.0606 |
logD: | 5.0606 |
logSw: | -4.9228 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.332 |
InChI Key: | XSBWNBDSVBNVTA-UHFFFAOYSA-N |