4-Ethynylphenol
TL;DR: 4-Ethynylphenol (CAS 2200-91-1) is a chemical compound with molecular formula C8H6O and molecular weight 118.04186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethynylphenol
Also Known As: 4-ethynylphenol, 4-ethynyl-phenol, Phenol, 4-ethynyl-, p-ethynylphenol, 4-Hydroxyphenylacetylene
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O |
| Molecular Weight | 118.04186 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.04186 Da |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
| SMILES | C#CC1=CC=C(C=C1)O |
| InChIKey | HLXJEKPLQLVJGK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethynylphenol
Property Insights of 4-Ethynylphenol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Ethynylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynylphenol has 1 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 4-Ethynylphenol?
The CAS number of 4-Ethynylphenol is 2200-91-1.
What is the molecular formula of 4-Ethynylphenol?
The molecular formula of 4-Ethynylphenol is C8H6O.
What is the molecular weight of 4-Ethynylphenol?
The molecular weight of 4-Ethynylphenol is 118.04186 g/mol.
Where can I buy 4-Ethynylphenol?
You can request a quote for 4-Ethynylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethynylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Ethynylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.