5-(3,4-Dimethoxyphenethyl)-1,2,3-Trimethoxybenzene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL307158 | |
| PubChem: | 3086528 | |
| IUPAC: | 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene | |
| Standard InChI: | InChI=1S/C19H24O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h8-12H,6-7H2,1-5H3 | |
| Standard InChI Key: | XKKZNLRWNSUNBW-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1OC)CCc1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 3.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 332.16 | |
| Topological polar surface area: | 46.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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