4-hydroxy-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-hydroxy-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
4-hydroxy-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K815-0022 |
Compound Name: | 4-hydroxy-3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
Molecular Weight: | 382.37 |
Molecular Formula: | C21 H18 O7 |
Smiles: | COc1cc(/C=C/C(C2=C(c3ccccc3OC2=O)O)=O)cc(c1OC)OC |
Stereo: | ACHIRAL |
logP: | 2.4401 |
logD: | -2.4428 |
logSw: | -3.1167 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.185 |
InChI Key: | WQMGJNMMIFZJHL-UHFFFAOYSA-N |