TL;DR: 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol (CAS 162821-38-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-phenyl-1,3-dioxan-5-ol
Also Known As: 2,2-dimethyl-5-phenyl-1,3-dioxan-5-ol
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 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 | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| SMILES | CC1(OCC(CO1)(C2=CC=CC=C2)O)C |
| InChIKey | BWVFUKILTREFDM-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol 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 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol is 162821-38-7.
The molecular formula of 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol is C12H16O3.
The molecular weight of 2,2-Dimethyl-5-phenyl-1,3-dioxan-5-ol is 208.10994 g/mol.
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