5-(3-Methoxyphenethyl)-3-Methoxybenzene-1,2-Diol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL216090 | |
| PubChem: | 44418770 | |
| IUPAC: | 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diol | |
| Standard InChI: | InChI=1S/C16H18O4/c1-19-13-5-3-4-11(8-13)6-7-12-9-14(17)16(18)15(10-12)20-2/h3-5,8-10,17-18H,6-7H2,1-2H3 | |
| Standard InChI Key: | DEMRUANQYFMYPI-UHFFFAOYSA-N | |
| SMILES: | COc1cccc(c1)CCc1cc(O)c(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 2.9 | |
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| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 274.12 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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