TL;DR: (2,2-Diethoxyethoxy)benzene (CAS 32438-31-6) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-diethoxyethoxybenzene
Also Known As: (2,2-Diethoxyethoxy)benzene, 2,2-diethoxyethoxybenzene, Phenoxyacetaldehyde diethyl acetal, Phenoxy-acetaldehyde diethyl acetal, Benzene, (2,2-diethoxyethoxy)-
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.1256 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1256 Da |
| Heavy Atoms | 15 |
| Complexity | 138.0 |
| SMILES | CCOC(COC1=CC=CC=C1)OCC |
| InChIKey | IISGAJPGMKEIAZ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-Diethoxyethoxy)benzene. With a topological polar surface area (TPSA) of 27.7 Ų, (2,2-Diethoxyethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2-Diethoxyethoxy)benzene has 0 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 (2,2-Diethoxyethoxy)benzene is 32438-31-6.
The molecular formula of (2,2-Diethoxyethoxy)benzene is C12H18O3.
The molecular weight of (2,2-Diethoxyethoxy)benzene is 210.1256 g/mol.
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