TL;DR: 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene (CAS 156482-82-5) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene
Also Known As: 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene, Benzene, 4-ethyl-1-methoxy-2-(2-nitroethenyl)-
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.08954 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 Da |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
| SMILES | CCC1=CC(=C(C=C1)OC)/C=C/[N+](=O)[O-] |
| InChIKey | UZWKUMJKFVERLM-VOTSOKGWSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene. With a topological polar surface area (TPSA) of 55.1 Ų, 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene is 156482-82-5.
The molecular formula of 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene is C11H13NO3.
The molecular weight of 4-ethyl-1-methoxy-2-[(E)-2-nitroethenyl]benzene is 207.08954 g/mol.
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