9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-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-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 2144-1003 |
| Compound Name: | 9-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 646.95 |
| Molecular Formula: | C31 H32 Cl I O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c(c(c2)I)OCc2ccc(cc2)[Cl])OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0587 |
| logD: | 7.0587 |
| logSw: | -6.4166 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.429 |
| InChI Key: | UTRHWVVFDOOYPL-UHFFFAOYSA-N |