1-(4-Fluoro-2-methoxyphenyl)ethan-1-one
TL;DR: 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one (CAS 51788-80-8) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluoro-2-methoxyphenyl)ethanone
Also Known As: 4-Fluoro-2-methoxyacetophenone, 1-(4-fluoro-2-methoxyphenyl)ethanone, 4'-Fluoro-2'-methoxyacetophenone, 1-(4-fluoro-2-methoxyphenyl)ethan-1-one, 2'-Methoxy-4'-fluoroacetophenone
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 51788-80-8 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)F)OC |
| InChIKey | YOXBPWVWNQROBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Fluoro-2-methoxyphenyl)ethan-1-one (CAS 51788-80-8), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: 1-(4-fluoro-2-methoxyphenyl)ethanone.
Chemical Property Profile of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one
Property Insights of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one has 0 hydrogen bond donor(s) and 3 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-(4-Fluoro-2-methoxyphenyl)ethan-1-one?
The CAS number of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one is 51788-80-8.
What is the molecular formula of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one?
The molecular formula of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one is C9H9FO2.
What is the molecular weight of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one?
The molecular weight of 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one is 168.06 g/mol.
Where can I buy 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one?
You can request a quote for 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.