TL;DR: 1,2-Propanediol, 3-(o-ethoxybenzyloxy)- (CAS 63834-81-1) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-ethoxyphenyl)methoxy]propane-1,2-diol
Also Known As: 3-(o-Ethoxybenzyloxy)-1,2-propanediol, 1,2-Propanediol, 3-(o-ethoxybenzyloxy)-, 3-[(2-ethoxybenzyl)oxy]propane-1,2-diol, 3-[(2-ethoxyphenyl)methoxy]propane-1,2-diol, 3-[(2-Ethoxybenzyl)oxy]-1,2-propanediol
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.12051 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.12051 Da |
| Heavy Atoms | 16 |
| Complexity | 174.0 |
| SMILES | CCOC1=CC=CC=C1COCC(CO)O |
| InChIKey | LBRMMZKQEMFFPV-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(o-ethoxybenzyloxy)-. With a topological polar surface area (TPSA) of 58.9 Ų, 1,2-Propanediol, 3-(o-ethoxybenzyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(o-ethoxybenzyloxy)- 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 1,2-Propanediol, 3-(o-ethoxybenzyloxy)- is 63834-81-1.
The molecular formula of 1,2-Propanediol, 3-(o-ethoxybenzyloxy)- is C12H18O4.
The molecular weight of 1,2-Propanediol, 3-(o-ethoxybenzyloxy)- is 226.12051 g/mol.
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