Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-
TL;DR: Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- (CAS 15158-13-1) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-2-(4-nitrophenoxy)benzene
Also Known As: 1,3-dimethyl-2-(4-nitrophenoxy)benzene, Ether,p-nitrophenyl 2,6-xylyl, p-Nitrophenyl 2,6-xylyl ether, benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-, 1-(2,6-Dimethylphenoxy)-4-nitrobenzene
Technical Specifications
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.08954 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08954 Da |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
| SMILES | CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VKPHCKTVRFIGBX-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-
Property Insights of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-
The XLogP value of 4.0 indicates that Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- 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 Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-?
The CAS number of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- is 15158-13-1.
What is the molecular formula of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-?
The molecular formula of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- is C14H13NO3.
What is the molecular weight of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-?
The molecular weight of Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- is 243.08954 g/mol.
Where can I buy Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-?
You can request a quote for Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1,3-dimethyl-2-(4-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.