4-(3,4-Dimethoxyphenethyl)-2,6-Dimethoxyphenol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL219352 | |
| PubChem: | 5315860 | |
| IUPAC: | 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenol | |
| Standard InChI: | InChI=1S/C18H22O5/c1-20-14-8-7-12(9-15(14)21-2)5-6-13-10-16(22-3)18(19)17(11-13)23-4/h7-11,19H,5-6H2,1-4H3 | |
| Standard InChI Key: | YUHRVKGYFHPWRI-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2cc(OC)c(c(c2)OC)O)ccc1OC | |
Molecular propeties
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| AlogP: | 3.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 318.15 | |
| Topological polar surface area: | 57.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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