TL;DR: 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene (CAS 128631-95-8) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-pentan-3-yloxy-4-[(4-propan-2-yloxyphenyl)methoxy]benzene
Also Known As: 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene, 1-pentan-3-yloxy-4-[(4-propan-2-yloxyphenyl)methoxy]benzene, 1-[(Pentan-3-yl)oxy]-4-({4-[(propan-2-yl)oxy]phenyl}methoxy)benzene
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.20386 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.20386 Da |
| Heavy Atoms | 24 |
| Complexity | 311.0 |
| SMILES | CCC(CC)OC1=CC=C(C=C1)OCC2=CC=C(C=C2)OC(C)C |
| InChIKey | QQJJZEHBVYTPKE-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene is 128631-95-8.
The molecular formula of 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene is C21H28O3.
The molecular weight of 1-Pentan-3-yloxy-4-((4-propan-2-yloxyphenyl)methoxy)benzene is 328.20386 g/mol.
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