butyl [(6-chloro-4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
butyl [(6-chloro-4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl)oxy]acetate
butyl [(6-chloro-4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-6670 |
| Compound Name: | butyl [(6-chloro-4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 366.84 |
| Molecular Formula: | C19 H23 Cl O5 |
| Smiles: | CCCCOC(COc1cc2c(cc1[Cl])C(C)=C(CCC)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1689 |
| logD: | 5.1689 |
| logSw: | -5.4276 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.199 |
| InChI Key: | PBFXOEUWFXBGRN-UHFFFAOYSA-N |