4-[(E)-2-(3,5-Dimethoxyphenyl)Ethenyl]-2-Methoxyphenol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL119576 | |
| PubChem: | 5809575 | |
| IUPAC: | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol | |
| Standard InChI: | InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+ | |
| Standard InChI Key: | QEHTYBCDRGQJGN-SNAWJCMRSA-N | |
| SMILES: | COc1cc(/C=C/c2ccc(c(c2)OC)O)cc(c1)OC | |
Molecular propeties
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| AlogP: | 3.59 | |
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| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 286.12 | |
| Topological polar surface area: | 47.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.176 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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