9-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 4333-6048 |
| Compound Name: | 9-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C31 H33 F O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(COc3ccccc3F)c2)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5378 |
| logD: | 5.5378 |
| logSw: | -5.5733 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.342 |
| InChI Key: | HOHXLYVAMZATDO-UHFFFAOYSA-N |