9-(4-hydroxy-3-methoxy-5-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-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8004-9268 |
| Compound Name: | 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C24 H27 N O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c(c(c2)OC)O)[N+]([O-])=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6736 |
| logD: | 3.3777 |
| logSw: | -4.1261 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.588 |
| InChI Key: | GGGGHYHIAAOWRH-UHFFFAOYSA-N |