TL;DR: Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)- (CAS 105886-94-0) is a chemical compound with molecular formula C14H15NO and molecular weight 213.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(cyclopenten-1-yl)phenoxy]propanenitrile
Also Known As: Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)-, 3-(4-(1-Cyclopenten-1-yl)phenoxy)propanenitrile, 3-[4-(cyclopenten-1-yl)phenoxy]propanenitrile, 3-[4-(Cyclopent-1-en-1-yl)phenoxy]propanenitrile, BRN 5521085
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.11537 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.11537 Da |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
| SMILES | C1CC=C(C1)C2=CC=C(C=C2)OCCC#N |
| InChIKey | BBSBAIRUGDLYSN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)-. With a topological polar surface area (TPSA) of 33.0 Ų, Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)- is 105886-94-0.
The molecular formula of Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)- is C14H15NO.
The molecular weight of Propanenitrile, 3-(4-(1-cyclopenten-1-yl)phenoxy)- is 213.11537 g/mol.
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