methyl {6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2305 |
| Compound Name: | methyl {6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C18 H19 Cl O5 |
| Smiles: | CC(C)=CCOc1cc2c(cc1[Cl])C(C)=C(CC(=O)OC)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.8412 |
| logD: | 4.8412 |
| logSw: | -4.9005 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.243 |
| InChI Key: | PDPHCXLQBOLMGP-UHFFFAOYSA-N |