9-[2-(benzyloxy)-5-bromophenyl]-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)-5-bromophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-[2-(benzyloxy)-5-bromophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-4503 |
| Compound Name: | 9-[2-(benzyloxy)-5-bromophenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 535.48 |
| Molecular Formula: | C30 H31 Br O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(ccc2OCc2ccccc2)[Br])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7739 |
| logD: | 6.7739 |
| logSw: | -5.7565 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.711 |
| InChI Key: | PYVOOSBXAFHRBI-UHFFFAOYSA-N |