TL;DR: 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol (CAS 15994-12-4) is a chemical compound with molecular formula C15H14ClNO and molecular weight 259.0764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-(2-phenylethyliminomethyl)phenol
Also Known As: 4-chloro-2-{[(2-phenylethyl)imino]methyl}phenol, 4-chloro-2-(2-phenylethyliminomethyl)phenol, 4-Chloro-2-{[(2-phenylethyl)imino]methyl}, 4-chloro-6-[(phenethylamino)methylidene]cyclohexa-2,4-dien-1-one, (6E)-4-chloro-6-[(phenethylamino)methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C15H14ClNO |
| Molecular Weight | 259.0764 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0764 Da |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
| SMILES | C1=CC=C(C=C1)CCN=CC2=C(C=CC(=C2)Cl)O |
| InChIKey | BVBFOUQMCJEBKN-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol is 15994-12-4.
The molecular formula of 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol is C15H14ClNO.
The molecular weight of 4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol is 259.0764 g/mol.
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