3-Buten-1-one, 1-(4-methylphenyl)-
TL;DR: 3-Buten-1-one, 1-(4-methylphenyl)- (CAS 130649-66-0) is a chemical compound with molecular formula C11H12O and molecular weight 160.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)but-3-en-1-one
Also Known As: p-tolyl-allyl ketone, Allyl p-tolyl ketone, 1-(4-Methylphenyl)-3-buten-1-one, 1-(4-methylphenyl)but-3-en-1-one, 1-(4-Methylphenyl)-3-butene-1-one
Technical Specifications
| Molecular Formula | C11H12O |
| Molecular Weight | 160.08882 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 Da |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)CC=C |
| InChIKey | RGYFXKDNIKSMOA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Buten-1-one, 1-(4-methylphenyl)-
Property Insights of 3-Buten-1-one, 1-(4-methylphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-1-one, 1-(4-methylphenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-1-one, 1-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-1-one, 1-(4-methylphenyl)- 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
What is the CAS number of 3-Buten-1-one, 1-(4-methylphenyl)-?
The CAS number of 3-Buten-1-one, 1-(4-methylphenyl)- is 130649-66-0.
What is the molecular formula of 3-Buten-1-one, 1-(4-methylphenyl)-?
The molecular formula of 3-Buten-1-one, 1-(4-methylphenyl)- is C11H12O.
What is the molecular weight of 3-Buten-1-one, 1-(4-methylphenyl)-?
The molecular weight of 3-Buten-1-one, 1-(4-methylphenyl)- is 160.08882 g/mol.
Where can I buy 3-Buten-1-one, 1-(4-methylphenyl)-?
You can request a quote for 3-Buten-1-one, 1-(4-methylphenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-1-one, 1-(4-methylphenyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Buten-1-one, 1-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.