9-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 2144-0729 |
| Compound Name: | 9-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 560.43 |
| Molecular Formula: | C27 H29 I O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c(c(c2)I)OCC#C)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1289 |
| logD: | 5.1289 |
| logSw: | -5.0519 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.619 |
| InChI Key: | QWAPCIDSQXUMQY-UHFFFAOYSA-N |