1-Chloro-2-(prop-2-yn-1-yloxy)benzene
TL;DR: 1-Chloro-2-(prop-2-yn-1-yloxy)benzene (CAS 17061-92-6) is a chemical compound with molecular formula C9H7ClO and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-prop-2-ynoxybenzene
Also Known As: 1-chloro-2-(prop-2-yn-1-yloxy)benzene, 1-chloro-2-prop-2-ynoxybenzene, o-Chlorophenyl propargyl ether, (2-Chlorophenyl)propargyl ether, 1-(Propargyloxy)-2-chlorobenzene
| Molecular Formula | C9H7ClO |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.01854 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 17061-92-6 |
|---|---|
| SMILES | C#CCOC1=CC=CC=C1Cl |
| InChIKey | CPJYMVHZHGCWOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-(prop-2-yn-1-yloxy)benzene (CAS 17061-92-6), with molecular formula C9H7ClO and molecular weight 166.02 g/mol. IUPAC: 1-chloro-2-prop-2-ynoxybenzene.
Chemical Property Profile of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene
Property Insights of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-(prop-2-yn-1-yloxy)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Chloro-2-(prop-2-yn-1-yloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(prop-2-yn-1-yloxy)benzene 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 1-Chloro-2-(prop-2-yn-1-yloxy)benzene?
The CAS number of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene is 17061-92-6.
What is the molecular formula of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene?
The molecular formula of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene is C9H7ClO.
What is the molecular weight of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene?
The molecular weight of 1-Chloro-2-(prop-2-yn-1-yloxy)benzene is 166.02 g/mol.
Where can I buy 1-Chloro-2-(prop-2-yn-1-yloxy)benzene?
You can request a quote for 1-Chloro-2-(prop-2-yn-1-yloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-(prop-2-yn-1-yloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-(prop-2-yn-1-yloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.