TL;DR: [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol (CAS 122788-52-7) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol
Also Known As: (2-(4-methoxyphenyl)-1,3-dioxane-5,5-diyl)dimethanol, [5-(hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol, 1,3-Dioxane-5,5-dimethanol, 2-(4-methoxyphenyl)-, J1.262.675D, 1,3-Dioxane-5,5-dimethanol,2-(4-methoxyphenyl)-
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.11542 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.11542 Da |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
| SMILES | COC1=CC=C(C=C1)C2OCC(CO2)(CO)CO |
| InChIKey | VHMTVSXOPLUABT-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol. Following Lipinski's Rule of Five, [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol is 122788-52-7.
The molecular formula of [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol is C13H18O5.
The molecular weight of [5-(Hydroxymethyl)-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol is 254.11542 g/mol.
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