9-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-5062 |
| Compound Name: | 9-{5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 604.37 |
| Molecular Formula: | C30 H29 Br Cl2 O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(ccc2OCc2ccc(cc2[Cl])[Cl])[Br])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9982 |
| logD: | 7.9982 |
| logSw: | -6.5323 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.711 |
| InChI Key: | DBSDPBAJBIBERJ-UHFFFAOYSA-N |