Methylisoeugenol
Representations & DB's id
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| ChEBI: | CHEBI:6877 | |
|---|---|---|
| ChEMBL: | CHEMBL465829 | |
| PubChem: | 637776 | |
| IUPAC: | 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene | |
| Standard InChI: | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+ | |
| Standard InChI Key: | NNWHUJCUHAELCL-SNAWJCMRSA-N | |
| SMILES: | C/C=C/c1ccc(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 2.74 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 178.1 | |
| Topological polar surface area: | 18.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.273 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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