TL;DR: 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene (CAS 131770-84-8) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-methoxyphenyl)methoxy]-3-nitrobenzene
Also Known As: 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene, 1-((4-Methoxybenzyl)oxy)-3-nitrobenzene, 1-[(4-methoxyphenyl)methoxy]-3-nitrobenzene, 1-[(4-methoxybenzyl)oxy]-3-nitrobenzene, 1-methoxy-4-[(3-nitrophenoxy)methyl]benzene
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.08447 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.08447 Da |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
| SMILES | COC1=CC=C(C=C1)COC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | DKJCBEQXXUXLBQ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene. Following Lipinski's Rule of Five, 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene is 131770-84-8.
The molecular formula of 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene is C14H13NO4.
The molecular weight of 1-[(4-methoxyphenyl)methoxy]-3-nitro-Benzene is 259.08447 g/mol.
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