4-butyl-6-chloro-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1723 |
| Compound Name: | 4-butyl-6-chloro-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 306.79 |
| Molecular Formula: | C17 H19 Cl O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(C)=C |
| Stereo: | ACHIRAL |
| logP: | 5.5009 |
| logD: | 5.5009 |
| logSw: | -5.946 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2315 |
| InChI Key: | VLXABOFZFRQHRL-UHFFFAOYSA-N |