TL;DR: 2,4-Dinitro-1-(propan-2-yloxy)benzene (CAS 10242-16-7) is a chemical compound with molecular formula C9H10N2O5 and molecular weight 226.05898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dinitro-1-propan-2-yloxybenzene
Also Known As: 2,4-dinitro-1-(propan-2-yloxy)benzene, NIOSH/CZ7820000, Ether, 2,4-dinitrophenyl isopropyl, (2,4-dinitro-phenyl)-isopropyl ether, 2,4-dinitro-1-propan-2-yloxybenzene
| Molecular Formula | C9H10N2O5 |
| Molecular Weight | 226.05898 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05898 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NIRCWCOZBNPIEE-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitro-1-(propan-2-yloxy)benzene. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-1-(propan-2-yloxy)benzene. Following Lipinski's Rule of Five, 2,4-Dinitro-1-(propan-2-yloxy)benzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Dinitro-1-(propan-2-yloxy)benzene is 10242-16-7.
The molecular formula of 2,4-Dinitro-1-(propan-2-yloxy)benzene is C9H10N2O5.
The molecular weight of 2,4-Dinitro-1-(propan-2-yloxy)benzene is 226.05898 g/mol.
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