Phenyl 1,2-dimethylvinyl ketone
TL;DR: Phenyl 1,2-dimethylvinyl ketone (CAS 20047-50-1) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-phenylbut-2-en-1-one
Also Known As: phenyl 1,2-dimethylvinyl ketone, 2-methyl-1-phenylbut-2-en-1-one, 2-methyl-1-phenyl-but-2-en-1-one, (Z)-2-methyl-1-phenylbut-2-en-1-one, 2-Buten-1-one, 2-methyl-1-phenyl-, (Z)-
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 20047-50-1 |
|---|---|
| SMILES | CC=C(C)C(=O)C1=CC=CC=C1 |
| InChIKey | AXOYGHVXGWFROM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 1,2-dimethylvinyl ketone (CAS 20047-50-1), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2-methyl-1-phenylbut-2-en-1-one.
Chemical Property Profile of Phenyl 1,2-dimethylvinyl ketone
Property Insights of Phenyl 1,2-dimethylvinyl ketone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 1,2-dimethylvinyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Phenyl 1,2-dimethylvinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 1,2-dimethylvinyl ketone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 1,2-dimethylvinyl ketone?
The CAS number of Phenyl 1,2-dimethylvinyl ketone is 20047-50-1.
What is the molecular formula of Phenyl 1,2-dimethylvinyl ketone?
The molecular formula of Phenyl 1,2-dimethylvinyl ketone is C11H12O.
What is the molecular weight of Phenyl 1,2-dimethylvinyl ketone?
The molecular weight of Phenyl 1,2-dimethylvinyl ketone is 160.09 g/mol.
Where can I buy Phenyl 1,2-dimethylvinyl ketone?
You can request a quote for Phenyl 1,2-dimethylvinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 1,2-dimethylvinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 1,2-dimethylvinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.