6-chloro-3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
6-chloro-3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1697 |
| Compound Name: | 6-chloro-3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.87 |
| Molecular Formula: | C20 H25 Cl O4 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(cc2OC1=O)OC(C)C(C)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3826 |
| logD: | 6.3826 |
| logSw: | -6.1985 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.862 |
| InChI Key: | GBRFZXMPTVGIMG-AWEZNQCLSA-N |