Ethynyloxybenzene
TL;DR: Ethynyloxybenzene (CAS 4279-76-9) 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.
ethynoxybenzene
Also Known As: Ethynyloxybenzene, ethynoxybenzene, (ethynyloxy)benzene, Phenoxyacetylene, phenoxyethyne
| Molecular Formula | C8H6O |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.04186 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4279-76-9 |
|---|---|
| SMILES | C#COC1=CC=CC=C1 |
| InChIKey | HJCNOCJDGPFRNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethynyloxybenzene (CAS 4279-76-9), with molecular formula C8H6O and molecular weight 118.04 g/mol. IUPAC: ethynoxybenzene.
Chemical Property Profile of Ethynyloxybenzene
Property Insights of Ethynyloxybenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynyloxybenzene. With a topological polar surface area (TPSA) of 9.2 Ų, Ethynyloxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynyloxybenzene 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
Frequently Asked Questions
What is the CAS number of Ethynyloxybenzene?
The CAS number of Ethynyloxybenzene is 4279-76-9.
What is the molecular formula of Ethynyloxybenzene?
The molecular formula of Ethynyloxybenzene is C8H6O.
What is the molecular weight of Ethynyloxybenzene?
The molecular weight of Ethynyloxybenzene is 118.04 g/mol.
Where can I buy Ethynyloxybenzene?
You can request a quote for Ethynyloxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynyloxybenzene?
Yes, KEHONG BIO provides custom synthesis services for Ethynyloxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.