9-{2-[(2,4-dichlorophenyl)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-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{2-[(2,4-dichlorophenyl)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: | 8008-2094 |
| Compound Name: | 9-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 555.5 |
| Molecular Formula: | C31 H32 Cl2 O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cccc(c2OCc2ccc(cc2[Cl])[Cl])OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9071 |
| logD: | 6.9071 |
| logSw: | -6.4124 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.429 |
| InChI Key: | BSTYHKIPTVDXBP-UHFFFAOYSA-N |