1,5-bis(4-methoxyphenyl)-3-(phenylethynyl)pentane-1,5-dione
Chemical Structure Depiction of
1,5-bis(4-methoxyphenyl)-3-(phenylethynyl)pentane-1,5-dione
1,5-bis(4-methoxyphenyl)-3-(phenylethynyl)pentane-1,5-dione
Compound characteristics
Compound ID: | 2968-0004 |
Compound Name: | 1,5-bis(4-methoxyphenyl)-3-(phenylethynyl)pentane-1,5-dione |
Molecular Weight: | 412.48 |
Molecular Formula: | C27 H24 O4 |
Smiles: | COc1ccc(cc1)C(CC(CC(c1ccc(cc1)OC)=O)C#Cc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.732 |
logD: | 5.732 |
logSw: | -5.6986 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 41.277 |
InChI Key: | JFKSDGHAALJJHN-UHFFFAOYSA-N |