6-chloro-4-ethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-ethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
6-chloro-4-ethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2118 |
| Compound Name: | 6-chloro-4-ethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 292.76 |
| Molecular Formula: | C16 H17 Cl O3 |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC=C(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.1809 |
| logD: | 5.1809 |
| logSw: | -5.5188 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1501 |
| InChI Key: | CXPGZPVOJAYXOS-UHFFFAOYSA-N |