1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene
TL;DR: 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene (CAS 1026986-34-4) 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-2-nitro-3-prop-1-en-2-ylbenzene
Also Known As: 2-isopropenyl-6-methoxynitrobenzene, 1-methoxy-2-nitro-3-prop-1-en-2-yl-benzene
Technical Specifications
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.0739 g/mol |
| XLogP | 3.1 |
| 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 | 234.0 |
| SMILES | CC(=C)C1=C(C(=CC=C1)OC)[N+](=O)[O-] |
| InChIKey | RVLWWDAAETXCGX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene
Property Insights of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene
The XLogP value of 3.1 indicates that 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene 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-2-nitro-3-prop-1-en-2-ylbenzene?
The CAS number of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene is 1026986-34-4.
What is the molecular formula of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene?
The molecular formula of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene is C10H11NO3.
What is the molecular weight of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene?
The molecular weight of 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene is 193.0739 g/mol.
Where can I buy 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene?
You can request a quote for 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Methoxy-2-nitro-3-prop-1-en-2-ylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.