TL;DR: 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers) (CAS 143562-57-6) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylphenyl)-1,3-dioxan-5-ol
Also Known As: Tolylaldehyde glyceryl acetal, Tolualdehyde glyceryl acetal, 2-(2-methylphenyl)-1,3-dioxan-5-ol, 1,3-Dioxan-5-ol, 2-(methylphenyl)-, 1,3-Dioxan-5-ol, 2-(methylphenyl)-, cis-
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | CC1=CC=CC=C1C2OCC(CO2)O |
| InChIKey | NCMQNBRXQZBDML-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers). With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers) 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 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers) is 143562-57-6.
The molecular formula of 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers) is C11H14O3.
The molecular weight of 1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers) is 194.0943 g/mol.
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