TL;DR: (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone (CAS 97721-70-5) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-(2-ethylhexoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone
Also Known As: KST-1A0140, (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone, 2-BENZOYL-5-{3-[(2-ETHYLHEXYL)OXY]-2-HYDROXYPROPOXY}PHENOL, [4-[3-(2-ethylhexoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone, (4-{3-[(2-Ethylhexyl)oxy]-2-hydroxypropoxy}-2-hydroxyphenyl)(phenyl)methanone
| Molecular Formula | C24H32O5 |
| Molecular Weight | 400.22498 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 400.22498 Da |
| Heavy Atoms | 29 |
| Complexity | 449.0 |
| SMILES | CCCCC(CC)COCC(COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)O |
| InChIKey | YBLOFDISPDJCKP-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone. Following Lipinski's Rule of Five, (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone is 97721-70-5.
The molecular formula of (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone is C24H32O5.
The molecular weight of (4-(3-((2-Ethylhexyl)oxy)-2-hydroxypropoxy)-2-hydroxyphenyl) phenyl ketone is 400.22498 g/mol.
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