TL;DR: 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- (CAS 132726-51-3) is a chemical compound with molecular formula C18H17NO and molecular weight 263.131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole
Also Known As: 2-Oxocyclohexylidenemethanone, 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl-, 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole, BIM-0048572.P001
| Molecular Formula | C18H17NO |
| Molecular Weight | 263.131 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 14.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.131 Da |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3 |
| InChIKey | JYVWOBGKZSYFKM-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 14.2 Ų, 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- is 132726-51-3.
The molecular formula of 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- is C18H17NO.
The molecular weight of 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl- is 263.131 g/mol.
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