TL;DR: 3-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde (CAS 138117-09-6) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-[(3-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
Also Known As: 1,4-Bis xylene, 1,4-BIS(3-FORMYLPHENOXY)XYLENE, 3-[[4-[(3-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde, J1.784.492J, 3,3 -[p-Phenylenebis(methyleneoxy)]bis(benzaldehyde)
| Molecular Formula | C22H18O4 |
| Molecular Weight | 346.1205 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1205 Da |
| Heavy Atoms | 26 |
| Complexity | 390.0 |
| SMILES | C1=CC(=CC(=C1)OCC2=CC=C(C=C2)COC3=CC=CC(=C3)C=O)C=O |
| InChIKey | HBYRZQGJAYFCNP-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde has 0 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-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde is 138117-09-6.
The molecular formula of 3-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde is C22H18O4.
The molecular weight of 3-[[4-[(3-Formylphenoxy)methyl]phenyl]methoxy]benzaldehyde is 346.1205 g/mol.
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