methyl {6-chloro-4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2249 |
| Compound Name: | methyl {6-chloro-4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C22 H19 Cl O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OC/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3396 |
| logD: | 5.3396 |
| logSw: | -6.0046 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.972 |
| InChI Key: | AQWTZLOIQXKBNA-UHFFFAOYSA-N |