TL;DR: 3-Benzylglycidol (CAS 116949-62-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R)-3-benzyloxiran-2-yl]methanol
Also Known As: 3-Benzylglycidol, [(2R,3R)-3-benzyloxiran-2-yl]methanol, 3beta-Benzyloxirane-2alpha-methanol, 3-(Phenylmethyl)oxiranemethanol (2R-trans)-, (2R,3R)-3-Benzyloxirane-2-methanol
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@H](O2)CO |
| InChIKey | XJBQHGGFOBLJDF-NXEZZACHSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylglycidol. With a topological polar surface area (TPSA) of 32.8 Ų, 3-Benzylglycidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylglycidol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Benzylglycidol is 116949-62-3.
The molecular formula of 3-Benzylglycidol is C10H12O2.
The molecular weight of 3-Benzylglycidol is 164.08372 g/mol.
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