1,2,3-Trimethoxy-5-Propenyl-Benzene
Representations & DB's id
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| ChEBI: | CHEBI:80837 | |
|---|---|---|
| ChEMBL: | CHEMBL121548 | |
| PubChem: | 5318557 | |
| IUPAC: | 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene | |
| Standard InChI: | InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+ | |
| Standard InChI Key: | RRXOQHQFJOQLQR-AATRIKPKSA-N | |
| SMILES: | C/C=C/c1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 2.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 208.11 | |
| Topological polar surface area: | 27.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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