m-Ethynylphenol
TL;DR: m-Ethynylphenol (CAS 104010-22-2) is a chemical compound with molecular formula C8H6O and molecular weight 118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethynylphenol
Also Known As: 3-Ethynylphenol, 3-Hydroxyphenylacetylene, m-ethynylphenol, 3-Ethynyl-phenol, Phenol, 3-ethynyl-
| Molecular Formula | C8H6O |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.04186 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 104010-22-2 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)O |
| InChIKey | AODMJIOEGCBUQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Ethynylphenol (CAS 104010-22-2), with molecular formula C8H6O and molecular weight 118.04 g/mol. IUPAC: 3-ethynylphenol.
Chemical Property Profile of m-Ethynylphenol
Property Insights of m-Ethynylphenol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Ethynylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, m-Ethynylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-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
Frequently Asked Questions
What is the CAS number of m-Ethynylphenol?
The CAS number of m-Ethynylphenol is 104010-22-2.
What is the molecular formula of m-Ethynylphenol?
The molecular formula of m-Ethynylphenol is C8H6O.
What is the molecular weight of m-Ethynylphenol?
The molecular weight of m-Ethynylphenol is 118.04 g/mol.
Where can I buy m-Ethynylphenol?
You can request a quote for m-Ethynylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Ethynylphenol?
Yes, KEHONG BIO provides custom synthesis services for m-Ethynylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.