TL;DR: 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol (CAS 109962-82-5) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yloxy)ethanol
Also Known As: 2-(1,3-benzodioxol-5-yloxy)ethanol, 2-(benzo[d][1,3]dioxol-5-yloxy)ethanol
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.0579 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)OCCO |
| InChIKey | FAZVALCJVBCDEH-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol. With a topological polar surface area (TPSA) of 47.9 Ų, 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol has 1 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 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol is 109962-82-5.
The molecular formula of 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol is C9H10O4.
The molecular weight of 2-(Benzo[d][1,3]dioxol-5-yloxy)ethanol is 182.0579 g/mol.
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