9-(3-bromo-4,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(3-bromo-4,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(3-bromo-4,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 2144-0838 |
| Compound Name: | 9-(3-bromo-4,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 489.41 |
| Molecular Formula: | C25 H29 Br O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c(c(c2)[Br])OC)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6818 |
| logD: | 4.6818 |
| logSw: | -4.5963 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.745 |
| InChI Key: | KMSBGKSVWZKZOD-UHFFFAOYSA-N |