6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7586 |
| Compound Name: | 6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 348.87 |
| Molecular Formula: | C20 H25 Cl O3 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(cc2OC1=O)OCC(C)=C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.2762 |
| logD: | 7.2762 |
| logSw: | -6.4752 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7458 |
| InChI Key: | RCBXDYAQBRIVKA-UHFFFAOYSA-N |