Benzyl 2,6-Dimethoxybenzoate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL491794 | |
| PubChem: | 370912 | |
| IUPAC: | benzyl 2,6-dimethoxybenzoate | |
| Standard InChI: | InChI=1S/C16H16O4/c1-18-13-9-6-10-14(19-2)15(13)16(17)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3 | |
| Standard InChI Key: | PKIYLOACOOWBCU-UHFFFAOYSA-N | |
| SMILES: | COc1cccc(c1C(=O)OCc1ccccc1)OC | |
Molecular propeties
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| AlogP: | 3.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 272.1 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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