TL;DR: 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol (CAS 6452-54-6) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-prop-2-enoxyphenoxy)propane-1,2-diol
Also Known As: Ether,m-chlorophenyl phenyl, 3-(Allyloxyphenoxy)-1,2-propanediol, 1,2-Propanediol, 3-(o-allyloxyphenoxy)-, 3-(2-prop-2-enoxyphenoxy)propane-1,2-diol, 3-[2-(Allyloxy)phenoxy]-1,2-propanediol
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.10486 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.10486 Da |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
| SMILES | C=CCOC1=CC=CC=C1OCC(CO)O |
| InChIKey | WTGJGWJJJOCUQE-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol. With a topological polar surface area (TPSA) of 58.9 Ų, 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol has 2 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 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol is 6452-54-6.
The molecular formula of 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol is C12H16O4.
The molecular weight of 3-(2-(2-Propen-1-yloxy)phenoxy)-1,2-propanediol is 224.10486 g/mol.
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