9-{4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8009-2988 |
| Compound Name: | 9-{4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 565.06 |
| Molecular Formula: | C32 H33 Cl O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)OC)OCc2cc3c(cc2[Cl])OCO3)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7611 |
| logD: | 5.7611 |
| logSw: | -6.1511 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.457 |
| InChI Key: | HGEVGUOJFKTXJY-UHFFFAOYSA-N |