2-Ethynyl-1,3,5-trimethoxybenzene
TL;DR: 2-Ethynyl-1,3,5-trimethoxybenzene (CAS 136612-71-0) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethynyl-1,3,5-trimethoxybenzene
Also Known As: 2-ethynyl-1,3,5-trimethoxybenzene, 2-ethynyl-1,3,5-trimethoxy-benzene, (2,4,6-Trimethoxyphenyl)acetylene, 2,4,6-trimethoxyethynylbenzene, Benzene, 2-ethynyl-1,3,5-trimethoxy-
Technical Specifications
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.07864 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 Da |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
| SMILES | COC1=CC(=C(C(=C1)OC)C#C)OC |
| InChIKey | BZPCPFPUKMTTAA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethynyl-1,3,5-trimethoxybenzene
Property Insights of 2-Ethynyl-1,3,5-trimethoxybenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynyl-1,3,5-trimethoxybenzene. With a topological polar surface area (TPSA) of 27.7 Ų, 2-Ethynyl-1,3,5-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynyl-1,3,5-trimethoxybenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Ethynyl-1,3,5-trimethoxybenzene?
The CAS number of 2-Ethynyl-1,3,5-trimethoxybenzene is 136612-71-0.
What is the molecular formula of 2-Ethynyl-1,3,5-trimethoxybenzene?
The molecular formula of 2-Ethynyl-1,3,5-trimethoxybenzene is C11H12O3.
What is the molecular weight of 2-Ethynyl-1,3,5-trimethoxybenzene?
The molecular weight of 2-Ethynyl-1,3,5-trimethoxybenzene is 192.07864 g/mol.
Where can I buy 2-Ethynyl-1,3,5-trimethoxybenzene?
You can request a quote for 2-Ethynyl-1,3,5-trimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethynyl-1,3,5-trimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 2-Ethynyl-1,3,5-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.