2-Methoxy-1-Methyl-4-Propan-2-Ylbenzene
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL464709 | |
| PubChem: | 80790 | |
| IUPAC: | 2-methoxy-1-methyl-4-propan-2-ylbenzene | |
| Standard InChI: | InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3 | |
| Standard InChI Key: | YVLHTQPPMZOCOW-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1C)C(C)C | |
Molecular propeties
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| AlogP: | 3.13 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.12 | |
| Topological polar surface area: | 9.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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