TL;DR: (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol (CAS 103687-27-0) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol
Also Known As: Bjerkanderol A, erythro-Anethole Glycol, 1-(4-Methoxyphenyl)-1,2-propanediol, (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol, (1S,2R)-1-(4-Methoxyphenyl)-1,2-propanediol
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.0943 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0943 Da |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
| SMILES | C[C@H]([C@H](C1=CC=C(C=C1)OC)O)O |
| InChIKey | MRDZSBVJWOXBRW-GMSGAONNSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol. With a topological polar surface area (TPSA) of 49.7 Ų, (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol has 2 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 (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol is 103687-27-0.
The molecular formula of (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol is C10H14O3.
The molecular weight of (1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol is 182.0943 g/mol.
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