TL;DR: 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid (CAS 114610-10-5) is a chemical compound with molecular formula C19H19FO2 and molecular weight 298.1369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic acid
Also Known As: 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid, Benzoic acid, 2-(1-(3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)ethyl)-, Benzoic acid,2-[1-(3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)ethyl]-, (7S,12R)-6-Fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydro-benzo[a]anthracene-7,12-diol
| Molecular Formula | C19H19FO2 |
| Molecular Weight | 298.1369 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1369 Da |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
| SMILES | CC(C1=CC=CC=C1C(=O)O)C2=C(C=C3CCCCC3=C2)F |
| InChIKey | FOPUZNHKPBBERL-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is 114610-10-5.
The molecular formula of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is C19H19FO2.
The molecular weight of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is 298.1369 g/mol.
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