4-(4-Methoxyphenyl)Butan-2-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3184371 | |
| PubChem: | 61007 | |
| IUPAC: | 4-(4-methoxyphenyl)butan-2-one | |
| Standard InChI: | InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3 | |
| Standard InChI Key: | PCBSXBYCASFXTM-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)CCC(=O)C | |
Molecular propeties
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| AlogP: | 2.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 178.1 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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