TL;DR: 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde (CAS 162896-88-0) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(hydroxymethyl)benzoyl]benzaldehyde
Also Known As: 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde, 4-[4-(hydroxymethyl)benzoyl]benzaldehyde
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.07864 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.07864 Da |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| SMILES | C1=CC(=CC=C1CO)C(=O)C2=CC=C(C=C2)C=O |
| InChIKey | KGGMZDCQXIDJTI-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde has 1 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 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde is 162896-88-0.
The molecular formula of 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde is C15H12O3.
The molecular weight of 4-(4-(Hydroxymethyl)benzoyl)benzaldehyde is 240.07864 g/mol.
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