TL;DR: 3-{[(4-Methoxyphenyl)imino]methyl}-1,2-benzenediol (CAS 1339943-38-2) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
Also Known As: 3-{[(4-Methoxyphenyl)imino]methyl}, 3-{[(4-methoxyphenyl)imino]methyl}-1,2-benzenediol, BAS 00548704, J1.400.301K, J3.005.839I
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.08954 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 Da |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
| SMILES | COC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)O)O |
| InChIKey | VHFKMUWSCDRBOD-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Methoxyphenyl)imino]methyl}-1,2-benzenediol. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Methoxyphenyl)imino]methyl}-1,2-benzenediol. Following Lipinski's Rule of Five, 3-{[(4-Methoxyphenyl)imino]methyl}-1,2-benzenediol has 2 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-Methoxyphenyl)imino]methyl}-1,2-benzenediol is 1339943-38-2.
The molecular formula of 3-{[(4-Methoxyphenyl)imino]methyl}-1,2-benzenediol is C14H13NO3.
The molecular weight of 3-{[(4-Methoxyphenyl)imino]methyl}-1,2-benzenediol is 243.08954 g/mol.
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