9-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-8049 |
| Compound Name: | 9-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 585.58 |
| Molecular Formula: | C31 H30 F3 N O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)OC)Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.073 |
| logD: | 6.073 |
| logSw: | -5.6761 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.029 |
| InChI Key: | OZXCEZGOBFFHKX-UHFFFAOYSA-N |