2-Methyl-3-(4-Propan-2-Ylphenyl)Propanal
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3183483 | |
| PubChem: | 517827 | |
| IUPAC: | 2-methyl-3-(4-propan-2-ylphenyl)propanal | |
| Standard InChI: | InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3 | |
| Standard InChI Key: | ZFNVDHOSLNRHNN-UHFFFAOYSA-N | |
| SMILES: | O=CC(Cc1ccc(cc1)C(C)C)C | |
Molecular propeties
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| AlogP: | 3.19 | |
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| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 190.14 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.462 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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