TL;DR: 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde (CAS 1228594-41-9) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(hydroxymethyl)phenyl]benzaldehyde
Also Known As: 2'-(hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde, 4-[2-(hydroxymethyl)phenyl]benzaldehyde, 2'-(Hydroxymethyl)[1,1'-biphenyl]-4-carboxaldehyde, 2'-hydroxymethyl-biphenyl-4-carbaldehyde, [1,1'-Biphenyl]-4-carboxaldehyde, 2'-(hydroxymethyl)-
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.08372 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08372 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | C1=CC=C(C(=C1)CO)C2=CC=C(C=C2)C=O |
| InChIKey | UBQIRFAQMBAOQO-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde. With a topological polar surface area (TPSA) of 37.3 Ų, 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde is 1228594-41-9.
The molecular formula of 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde is C14H12O2.
The molecular weight of 2'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carbaldehyde is 212.08372 g/mol.
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