O-(2-Methylallyloxy)nitrobenzene
TL;DR: O-(2-Methylallyloxy)nitrobenzene (CAS 13414-54-5) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylprop-2-enoxy)-2-nitrobenzene
Also Known As: Methallyl 2-nitrophenyl ether, o-(2-Methylallyloxy)nitrobenzene, 2-Methylallyl 2-nitrophenyl ether, Methallyl2-nitrophenylether, 1-[(2-methylprop-2-en-1-yl)oxy]-2-nitrobenzene
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 13414-54-5 |
|---|---|
| SMILES | CC(=C)COC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | MNMNLAJIXJLHNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(2-Methylallyloxy)nitrobenzene (CAS 13414-54-5), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 1-(2-methylprop-2-enoxy)-2-nitrobenzene.
Chemical Property Profile of O-(2-Methylallyloxy)nitrobenzene
Property Insights of O-(2-Methylallyloxy)nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-Methylallyloxy)nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, O-(2-Methylallyloxy)nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-Methylallyloxy)nitrobenzene 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
Frequently Asked Questions
What is the CAS number of O-(2-Methylallyloxy)nitrobenzene?
The CAS number of O-(2-Methylallyloxy)nitrobenzene is 13414-54-5.
What is the molecular formula of O-(2-Methylallyloxy)nitrobenzene?
The molecular formula of O-(2-Methylallyloxy)nitrobenzene is C10H11NO3.
What is the molecular weight of O-(2-Methylallyloxy)nitrobenzene?
The molecular weight of O-(2-Methylallyloxy)nitrobenzene is 193.07 g/mol.
Where can I buy O-(2-Methylallyloxy)nitrobenzene?
You can request a quote for O-(2-Methylallyloxy)nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Methylallyloxy)nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Methylallyloxy)nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.