1-(But-3-yn-1-yl)-4-methoxybenzene
TL;DR: 1-(But-3-yn-1-yl)-4-methoxybenzene (CAS 73780-78-6) 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-but-3-ynyl-4-methoxybenzene
Also Known As: 1-(but-3-yn-1-yl)-4-methoxybenzene, 1-but-3-ynyl-4-methoxybenzene, 1-but-3-ynyl-4-methoxy-benzene, 4-(4-Methoxyphenyl)-1-butyne, 1-Methoxy-4-(3-butynyl)benzene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O |
| Molecular Weight | 160.08882 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | COC1=CC=C(C=C1)CCC#C |
| InChIKey | NLXMNYGXUXQBMP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(But-3-yn-1-yl)-4-methoxybenzene
Property Insights of 1-(But-3-yn-1-yl)-4-methoxybenzene
The XLogP value of 3.1 indicates that 1-(But-3-yn-1-yl)-4-methoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(But-3-yn-1-yl)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(But-3-yn-1-yl)-4-methoxybenzene 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 1-(But-3-yn-1-yl)-4-methoxybenzene?
The CAS number of 1-(But-3-yn-1-yl)-4-methoxybenzene is 73780-78-6.
What is the molecular formula of 1-(But-3-yn-1-yl)-4-methoxybenzene?
The molecular formula of 1-(But-3-yn-1-yl)-4-methoxybenzene is C11H12O.
What is the molecular weight of 1-(But-3-yn-1-yl)-4-methoxybenzene?
The molecular weight of 1-(But-3-yn-1-yl)-4-methoxybenzene is 160.08882 g/mol.
Where can I buy 1-(But-3-yn-1-yl)-4-methoxybenzene?
You can request a quote for 1-(But-3-yn-1-yl)-4-methoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(But-3-yn-1-yl)-4-methoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-(But-3-yn-1-yl)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.