9-(4-hydroxy-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-hydroxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(4-hydroxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8013-0526 |
| Compound Name: | 9-(4-hydroxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C23 H25 N O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)[N+]([O-])=O)O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9413 |
| logD: | 3.7744 |
| logSw: | -3.9253 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.026 |
| InChI Key: | VBOLBRLFSQTIDV-UHFFFAOYSA-N |