6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0469 |
| Compound Name: | 6-chloro-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 278.73 |
| Molecular Formula: | C15 H15 Cl O3 |
| Smiles: | CC(C)=CCOc1cc2c(cc1[Cl])C(C)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.7521 |
| logD: | 4.7521 |
| logSw: | -4.8541 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1501 |
| InChI Key: | KXCXGXAUBJACPD-UHFFFAOYSA-N |