3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3793-3047 |
| Compound Name: | 3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C23 H24 O6 |
| Smiles: | CC(C)CCOC(COc1ccc2C(C(=COc2c1)Oc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4676 |
| logD: | 4.4676 |
| logSw: | -4.422 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.522 |
| InChI Key: | QNXBBMVRWXRBFG-UHFFFAOYSA-N |