1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one
TL;DR: 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one (CAS 1100793-44-9) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 1-(4-nitrophenyl)-3-(o-tolyl)prop-2-en-1-one, (2E)-3-(2-Methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one, 3-(2-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
| SMILES | CC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YRKQXIQAZKLKLD-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one
Property Insights of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one
The XLogP value of 3.9 indicates that 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-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
What is the CAS number of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one?
The CAS number of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one is 1100793-44-9.
What is the molecular formula of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one?
The molecular formula of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one is C16H13NO3.
What is the molecular weight of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one?
The molecular weight of 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one is 267.08954 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one?
You can request a quote for 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitrophenyl)-3-(o-tolyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.