9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
Compound ID: | 5547-0133 |
Compound Name: | 9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
Molecular Weight: | 410.51 |
Molecular Formula: | C25 H30 O5 |
Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)OC)OC)C(C1)=O |
Stereo: | ACHIRAL |
logP: | 3.7384 |
logD: | 3.7384 |
logSw: | -4.2066 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.658 |
InChI Key: | JTHYECGLMTTXNN-UHFFFAOYSA-N |