1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene
TL;DR: 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene (CAS 17354-63-1) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-4-(2-nitroprop-1-enyl)benzene
Also Known As: p-(2-Nitropropenyl)anisole, 1-(4-METHOXYPHENYL)-2-NITROPROPENE, 1-(P-METHOXYPHENYL)2-NITROPROPENE, 1-methoxy-4-(2-nitroprop-1-en-1-yl)benzene, AI3-63172
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.0739 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0739 Da |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
| SMILES | CC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | XQGFRDLMKKKSAH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene
Property Insights of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene 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-Methoxy-4-(2-nitro-1-propen-1-yl)benzene?
The CAS number of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene is 17354-63-1.
What is the molecular formula of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene?
The molecular formula of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene is C10H11NO3.
What is the molecular weight of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene?
The molecular weight of 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene is 193.0739 g/mol.
Where can I buy 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene?
You can request a quote for 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Methoxy-4-(2-nitro-1-propen-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.