3,4-Diphenylbut-3-en-2-one
3,4-diphenylbut-3-en-2-one
Also Known As: 3,4-diphenylbut-3-en-2-one|3,4-diphenyl-3-buten-2-one|(Z)-3,4-diphenylbut-3-en-2-one|3-Buten-2-one, 3,4-diphenyl-, (3Z)-
CAS: 54963-40-5
| Molecular Formula | C16H14O |
|---|---|
| Molecular Weight | 222.10446 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10446 |
| Monoisotopic Mass | 222.10446 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 54963-40-5 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | PXTNHINUEHWZIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (6 patents)
Heterocyclic Building Blocks (51 patents)
Organic Building Blocks (2 patents)
Pharmaceutical Intermediates (43 patents)
Product Overview
3,4-Diphenylbut-3-en-2-one (CAS 54963-40-5), with molecular formula C16H14O and molecular weight 222.10446 g/mol. IUPAC: 3,4-diphenylbut-3-en-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
3,4-Diphenylbut-3-en-2-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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