9-(4-methoxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(4-methoxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(4-methoxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 3615-0291 |
| Compound Name: | 9-(4-methoxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C24 H27 N O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)[N+]([O-])=O)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6276 |
| logD: | 3.6276 |
| logSw: | -4.1809 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.108 |
| InChI Key: | UVUVLJWDSBSJMD-UHFFFAOYSA-N |