Benzene, 1-chloro-4-ethoxy-
TL;DR: Benzene, 1-chloro-4-ethoxy- (CAS 622-61-7) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-ethoxybenzene
Also Known As: 4-Chlorophenetole, 1-Chloro-4-ethoxybenzene, p-Chlorophenetole, Phenetole, p-chloro-, Benzene, 1-chloro-4-ethoxy-
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 622-61-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)Cl |
| InChIKey | IXLSVQMYQRAMEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-ethoxy- (CAS 622-61-7), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 1-chloro-4-ethoxybenzene.
Chemical Property Profile of Benzene, 1-chloro-4-ethoxy-
Property Insights of Benzene, 1-chloro-4-ethoxy-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-chloro-4-ethoxy-. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-chloro-4-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-ethoxy- 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 Benzene, 1-chloro-4-ethoxy-?
The CAS number of Benzene, 1-chloro-4-ethoxy- is 622-61-7.
What is the molecular formula of Benzene, 1-chloro-4-ethoxy-?
The molecular formula of Benzene, 1-chloro-4-ethoxy- is C8H9ClO.
What is the molecular weight of Benzene, 1-chloro-4-ethoxy-?
The molecular weight of Benzene, 1-chloro-4-ethoxy- is 156.03 g/mol.
Where can I buy Benzene, 1-chloro-4-ethoxy-?
You can request a quote for Benzene, 1-chloro-4-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.