2-Hydroxy-5-(3-Methylbut-2-Enyl)-6-Propan-2-Ylcyclohepta-2,4,6-Trien-1-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1700891 | |
| PubChem: | 238797 | |
| IUPAC: | 2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one | |
| Standard InChI: | InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17) | |
| Standard InChI Key: | MNMNTZYOZZLKSV-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1ccc(c(=O)cc1C(C)C)O)C | |
Molecular propeties
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| AlogP: | 3.38 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 232.15 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 15 | |