9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 1809-0003 |
| Compound Name: | 9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 708.38 |
| Molecular Formula: | C30 H30 I2 O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(cc(c2OCc2ccccc2)I)I)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8038 |
| logD: | 7.8038 |
| logSw: | -5.7719 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.798 |
| InChI Key: | XKTMUXQLENSFKX-UHFFFAOYSA-N |