HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2-Hydroxy-5-methylphenyl)-3-methylbutan-1-one
1-(2-hydroxy-5-methylphenyl)-3-methyl-1-Butanone · 1-Butanone, 1-(2-hydroxy-5-Methylphenyl)-3-Methyl- · 1-(2-hydroxy-5-methyl-phenyl)-3-methyl-butan-1-one
Identifiers & Physical Properties
| CAS No. | 55813-81-5 |
|---|---|
| Molecular formula | C12H16O2 |
| Average molar mass | 192.25 g/mol |
| Monoisotopic mass | 192.11502975 g/mol |
| SMILES | Cc1ccc(O)c(C(=O)CC(C)C)c1 |
| InChIKey | PQUXEPKDXMBZRM-UHFFFAOYSA-N |
| PubChem CID | 62379933 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 198 |