TL;DR: 3-(2-methoxyphenyl)-2-methyl-2-Propenal (CAS 120958-26-1) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-methoxyphenyl)-2-methylprop-2-enal
Also Known As: alpha-Methyl-2-methoxybenzenepropenal, 3-(2-methoxyphenyl)-2-methyl-2-Propenal, 3-(2-Methoxyphenyl)-2-methylprop-2-enal, J3.270.667C, (E)-3-(2-methoxyphenyl)-2-methyl-prop-2-enal
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | C/C(=C\C1=CC=CC=C1OC)/C=O |
| InChIKey | KCZUFWJXDSRHLQ-VQHVLOKHSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methoxyphenyl)-2-methyl-2-Propenal. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(2-methoxyphenyl)-2-methyl-2-Propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methoxyphenyl)-2-methyl-2-Propenal has 0 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 3-(2-methoxyphenyl)-2-methyl-2-Propenal is 120958-26-1.
The molecular formula of 3-(2-methoxyphenyl)-2-methyl-2-Propenal is C11H12O2.
The molecular weight of 3-(2-methoxyphenyl)-2-methyl-2-Propenal is 176.08372 g/mol.
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