Echinatin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL141530 | |
| PubChem: | 6442675 | |
| IUPAC: | (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+ | |
| Standard InChI Key: | QJKMIJNRNRLQSS-WEVVVXLNSA-N | |
| SMILES: | COc1cc(O)ccc1/C=C/C(=O)c1ccc(cc1)O | |
Molecular propeties
| ||
| AlogP: | 3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 270.09 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |