3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1950 |
| Compound Name: | 3-hexyl-4,8-dimethyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 463.45 |
| Molecular Formula: | C24 H24 F3 N O5 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)Oc1ccc(cc1C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.8785 |
| logD: | 7.8785 |
| logSw: | -5.815 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.147 |
| InChI Key: | IEMVKOBBHGWFMV-UHFFFAOYSA-N |