4-butyl-6-chloro-7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7593 |
| Compound Name: | 4-butyl-6-chloro-7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 430.88 |
| Molecular Formula: | C23 H23 Cl O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1648 |
| logD: | 5.1648 |
| logSw: | -5.5167 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.468 |
| InChI Key: | XYLFTGRIDTZHBF-UHFFFAOYSA-N |