TL;DR: endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one (CAS 54762-86-6) is a chemical compound with molecular formula C15H18O and molecular weight 214.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]ethanone
Also Known As: 1-(4-(Norbornane-2-yl)phenyl)ethanone, J3.541.834B, 1-[4-(3-bicyclo[2.2.1]heptanyl)phenyl]ethanone, 1-(4-{bicyclo[2.2.1]heptan-2-yl}phenyl)ethan-1-one, endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one
| Molecular Formula | C15H18O |
| Molecular Weight | 214.13577 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.13577 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2CC3CCC2C3 |
| InChIKey | RIQCUGGXKQATJX-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-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, endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one is 54762-86-6.
The molecular formula of endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one is C15H18O.
The molecular weight of endo-1-(4-Bicyclo(2.2.1)hept-2-ylphenyl)ethan-1-one is 214.13577 g/mol.
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