3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3793-3096 |
| Compound Name: | 3-methylbutyl {[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 464.44 |
| Molecular Formula: | C24 H23 F3 O6 |
| Smiles: | CC(C)CCOC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5289 |
| logD: | 5.5289 |
| logSw: | -5.4178 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.567 |
| InChI Key: | LZNJOFDESAWNQH-UHFFFAOYSA-N |