TL;DR: 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol (CAS 1196061-28-5) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)iminomethyl]-4-methoxyphenol
Also Known As: (E)-2-(4-chlorophenyliminomethyl)-4-methoxyphenol, (E)-2-(((4-chlorophenyl)imino)methyl)-4-methoxyphenol, 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol, 6-[(4-chloroanilino)methylidene]-4-methoxycyclohexa-2,4-dien-1-one, (6Z)-6-[(4-chloroanilino)methylidene]-4-methoxycyclohexa-2,4-dien-1-one
| Molecular Formula | C14H12ClNO2 |
| Molecular Weight | 261.05566 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.05566 Da |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
| SMILES | COC1=CC(=C(C=C1)O)C=NC2=CC=C(C=C2)Cl |
| InChIKey | PRRYQSJWEUBMGO-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol has 1 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 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol is 1196061-28-5.
The molecular formula of 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol is C14H12ClNO2.
The molecular weight of 2-{(E)-[(4-chlorophenyl)imino]methyl}-4-methoxyphenol is 261.05566 g/mol.
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