TL;DR: Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl- (CAS 116796-00-0) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-4-methylphenol
Also Known As: Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl-, 2-Hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methylbenzenemethanol, 3-((1H-Imidazol-4-yl)methyl)-2-hydroxy-5-methylbenzenemethanol, 2-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-4-methylphenol, 2-(hydroxymethyl)-6-(3H-imidazol-4-ylmethyl)-4-methyl-phenol
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| SMILES | CC1=CC(=C(C(=C1)CO)O)CC2=CN=CN2 |
| InChIKey | CEPBGDOKCKFPQK-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl-. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl-. Following Lipinski's Rule of Five, Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl- has 3 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 Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl- is 116796-00-0.
The molecular formula of Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl- is C12H14N2O2.
The molecular weight of Benzenemethanol, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-5-methyl- is 218.10553 g/mol.
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