2-Ethynylphenyl acetate
TL;DR: 2-Ethynylphenyl acetate (CAS 152753-82-7) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-ethynylphenyl) acetate
Also Known As: 2-Ethynylphenyl acetate, (2-ethynylphenyl) acetate, Acetic acid 2-ethynylphenyl ester, ICCB4_000276, J1.537.162E
Technical Specifications
| Molecular Formula | C10H8O2 |
| Molecular Weight | 160.05243 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.05243 Da |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
| SMILES | CC(=O)OC1=CC=CC=C1C#C |
| InChIKey | SGIGPCXCQZFJOZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethynylphenyl acetate
Property Insights of 2-Ethynylphenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynylphenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethynylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynylphenyl acetate has 0 hydrogen bond donor(s) and 2 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-Ethynylphenyl acetate?
The CAS number of 2-Ethynylphenyl acetate is 152753-82-7.
What is the molecular formula of 2-Ethynylphenyl acetate?
The molecular formula of 2-Ethynylphenyl acetate is C10H8O2.
What is the molecular weight of 2-Ethynylphenyl acetate?
The molecular weight of 2-Ethynylphenyl acetate is 160.05243 g/mol.
Where can I buy 2-Ethynylphenyl acetate?
You can request a quote for 2-Ethynylphenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethynylphenyl acetate?
Yes, CoreyChem provides custom synthesis services for 2-Ethynylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.