TL;DR: 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 135040-11-8) is a chemical compound with molecular formula C24H30O3 and molecular weight 366.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, (2E)-3-(3,5-Bis(tert-butyl)-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, (2E)-3-[3,5-Bis(tert-butyl)-4-hydroxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C24H30O3 |
| Molecular Weight | 366.21948 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.21948 Da |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)C2=CC=C(C=C2)OC |
| InChIKey | GVSPXQVUXHMUMA-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-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 46.5 Ų, 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is 135040-11-8.
The molecular formula of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is C24H30O3.
The molecular weight of 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is 366.21948 g/mol.
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