4'-(4-Nitrobenzyloxy)acetophenone
TL;DR: 4'-(4-Nitrobenzyloxy)acetophenone (CAS 205748-03-4) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(4-nitrophenyl)methoxy]phenyl]ethanone
Also Known As: 4'-(4-Nitrobenzyloxy)acetophenone, titaniumtetrachloride, Maybridge1_001947, 4'- ACETOPHENONE, 4-(4-Nitrobenzyloxy)acetophenone
Technical Specifications
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.08447 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08447 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GUBOWULDVFKCRF-UHFFFAOYSA-N |
Chemical Property Profile of 4'-(4-Nitrobenzyloxy)acetophenone
Property Insights of 4'-(4-Nitrobenzyloxy)acetophenone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-(4-Nitrobenzyloxy)acetophenone. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-(4-Nitrobenzyloxy)acetophenone. Following Lipinski's Rule of Five, 4'-(4-Nitrobenzyloxy)acetophenone 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 4'-(4-Nitrobenzyloxy)acetophenone?
The CAS number of 4'-(4-Nitrobenzyloxy)acetophenone is 205748-03-4.
What is the molecular formula of 4'-(4-Nitrobenzyloxy)acetophenone?
The molecular formula of 4'-(4-Nitrobenzyloxy)acetophenone is C15H13NO4.
What is the molecular weight of 4'-(4-Nitrobenzyloxy)acetophenone?
The molecular weight of 4'-(4-Nitrobenzyloxy)acetophenone is 271.08447 g/mol.
Where can I buy 4'-(4-Nitrobenzyloxy)acetophenone?
You can request a quote for 4'-(4-Nitrobenzyloxy)acetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-(4-Nitrobenzyloxy)acetophenone?
Yes, CoreyChem provides custom synthesis services for 4'-(4-Nitrobenzyloxy)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.