1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone
TL;DR: 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone (CAS 1036591-49-7) is a chemical compound with molecular formula C15H12ClNO4 and molecular weight 305.04547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanone
Also Known As: 1-(4-(4-chloro-3-methylphenoxy)-3-nitrophenyl)ethanone, 1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanone, 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethan-1-one, 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone, AldrichCPR
Technical Specifications
| Molecular Formula | C15H12ClNO4 |
| Molecular Weight | 305.04547 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04547 Da |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
| SMILES | CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])Cl |
| InChIKey | SPTAVGXCLJQRRU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone
Property Insights of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone
The XLogP value of 4.0 indicates that 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone?
The CAS number of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone is 1036591-49-7.
What is the molecular formula of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone?
The molecular formula of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone is C15H12ClNO4.
What is the molecular weight of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone?
The molecular weight of 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone is 305.04547 g/mol.
Where can I buy 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone?
You can request a quote for 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-(4-Chloro-3-methylphenoxy)-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.