TL;DR: Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]- (CAS 13906-82-6) is a chemical compound with molecular formula C10H12Cl2O and molecular weight 218.02652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloropropan-2-yloxymethylbenzene
Also Known As: 2-benzyloxy-1,3-dichloropropane, 2-benzyloxy-1,3-dichloro-propane, 1,3-dichloropropan-2-yloxymethylbenzene, Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]-, (((1,3-dichloropropan-2-yl)oxy)methyl)benzene
| Molecular Formula | C10H12Cl2O |
| Molecular Weight | 218.02652 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.02652 Da |
| Heavy Atoms | 13 |
| Complexity | 120.0 |
| SMILES | C1=CC=C(C=C1)COC(CCl)CCl |
| InChIKey | PSXZILDFNHACKW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]-. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]- is 13906-82-6.
The molecular formula of Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]- is C10H12Cl2O.
The molecular weight of Benzene, [[2-chloro-1-(chloromethyl)ethoxy]methyl]- is 218.02652 g/mol.
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