TL;DR: 1-Nitro-2-(tetradecyloxy)benzene (CAS 122329-02-6) is a chemical compound with molecular formula C20H33NO3 and molecular weight 335.24603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-2-tetradecoxybenzene
Also Known As: 1-Nitro-2-(tetradecyloxy)benzene, 2-Tetradecyloxynitrobenzene, 1-nitro-2-tetradecoxybenzene, Benzene, 1-nitro-2-(tetradecyloxy)-, o-tetradecyloxynitrobenzene
| Molecular Formula | C20H33NO3 |
| Molecular Weight | 335.24603 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 335.24603 Da |
| Heavy Atoms | 24 |
| Complexity | 304.0 |
| SMILES | CCCCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | PZZKFDTVGVZNJP-UHFFFAOYSA-N |
The XLogP value of 8.4 indicates that 1-Nitro-2-(tetradecyloxy)benzene 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-Nitro-2-(tetradecyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2-(tetradecyloxy)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Nitro-2-(tetradecyloxy)benzene is 122329-02-6.
The molecular formula of 1-Nitro-2-(tetradecyloxy)benzene is C20H33NO3.
The molecular weight of 1-Nitro-2-(tetradecyloxy)benzene is 335.24603 g/mol.
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