TL;DR: 2-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol (CAS 125598-67-6) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(1H-indol-3-yl)ethyliminomethyl]-4-methoxyphenol
Also Known As: 2-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol, 2-((2-(1h-indol-3-yl)-ethylimino)-methyl)-4-methoxy-phenol, 2-((E)-{[(E)-2-(1H-indol-3-yl)ethyl]imino}methyl)-4-methoxyphenol, 6-[[2-(1H-indol-3-yl)ethylamino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one
| Molecular Formula | C18H18N2O2 |
| Molecular Weight | 294.13684 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.13684 Da |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
| SMILES | COC1=CC(=C(C=C1)O)C=NCCC2=CNC3=CC=CC=C32 |
| InChIKey | UCCBJYIBVULASF-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-(((2-(1H-Indol-3-yl)ethyl)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 57.6 Ų, 2-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol has 2 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-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol is 125598-67-6.
The molecular formula of 2-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol is C18H18N2O2.
The molecular weight of 2-(((2-(1H-Indol-3-yl)ethyl)imino)methyl)-4-methoxyphenol is 294.13684 g/mol.
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