9-{3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 2144-0770 |
| Compound Name: | 9-{3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 564.31 |
| Molecular Formula: | C26 H28 Br2 O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(cc(c2OCC=C)[Br])[Br])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5325 |
| logD: | 6.5325 |
| logSw: | -5.6401 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.988 |
| InChI Key: | MAJBJCDXXDURDY-UHFFFAOYSA-N |