TL;DR: (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one (CAS 132971-81-4) is a chemical compound with molecular formula C20H22O and molecular weight 278.16705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one
Also Known As: (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one, (E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one, 2-Propen-1-one, 1-(4-pentylphenyl)-3-phenyl-, (E)-
| Molecular Formula | C20H22O |
| Molecular Weight | 278.16705 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.16705 Da |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | QHXCZIIICPXMHZ-DTQAZKPQSA-N |
The XLogP value of 5.5 indicates that (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one is 132971-81-4.
The molecular formula of (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one is C20H22O.
The molecular weight of (2E)-1-(4-pentylphenyl)-3-phenylprop-2-en-1-one is 278.16705 g/mol.
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