TL;DR: 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- (CAS 108511-11-1) is a chemical compound with molecular formula C22H18O and molecular weight 298.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)-1,3-diphenylprop-2-en-1-one
Also Known As: 1,3-Diphenyl-3-p-tolyl-propenon, 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl-, 3-(4-methylphenyl)-1,3-diphenylprop-2-en-1-one, 3-(4-methylphenyl)-1,3-diphenyl-prop-2-en-1-one
| Molecular Formula | C22H18O |
| Molecular Weight | 298.13577 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.13577 Da |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
| SMILES | CC1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | BQNPXEBIUVFIPG-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- is 108511-11-1.
The molecular formula of 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- is C22H18O.
The molecular weight of 2-Propen-1-one, 3-(4-methylphenyl)-1,3-diphenyl- is 298.13577 g/mol.
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