TL;DR: Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- (CAS 52514-66-6) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
Also Known As: 2-methoxy-4- phenol, 2-Methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol, vanillin hexylene glycol acetal, Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-, 2-(3'-Methoxy-4'-hydroxyphenyl)-4,4,6-trimethyl-1,3-dioxane
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.13615 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.13615 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | CC1CC(OC(O1)C2=CC(=C(C=C2)O)OC)(C)C |
| InChIKey | CIOMDFVGRMKKNB-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-. With a topological polar surface area (TPSA) of 47.9 Ų, Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- is 52514-66-6.
The molecular formula of Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- is C14H20O4.
The molecular weight of Phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)- is 252.13615 g/mol.
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