9-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
Compound ID: | 4984-1236 |
Compound Name: | 9-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
Molecular Weight: | 392.45 |
Molecular Formula: | C24 H24 O5 |
Smiles: | CCOc1cc(ccc1OCC#C)C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
Stereo: | ACHIRAL |
logP: | 2.8899 |
logD: | 2.8899 |
logSw: | -3.2971 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.112 |
InChI Key: | UFBLOPDDWMIMDP-UHFFFAOYSA-N |