Cas no 80254-63-3 (3-(2-Fluorophenyl)phenol)

3-(2-Fluorophenyl)phenol structure
3-(2-Fluorophenyl)phenol structure
Product Name:3-(2-Fluorophenyl)phenol
CAS No:80254-63-3
MF:C12H9FO
MW:188.197666883469
MDL:MFCD06802307
CID:1006498
PubChem ID:12095324
Update Time:2025-04-24

3-(2-Fluorophenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 2'-Fluoro-[1,1'-biphenyl]-3-ol
    • 2'-FLUORO[1,1'-BIPHENYL]-3-OL
    • 3-(2-Fluorophenyl)phenol
    • 80254-63-3
    • SCHEMBL410724
    • AKOS004116536
    • CHEMBL331933
    • BS-24324
    • CS-0208222
    • BB 0223367
    • DTXSID30477463
    • MFCD06802307
    • DB-392495
    • MDL: MFCD06802307
    • Inchi: 1S/C12H9FO/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9/h1-8,14H
    • InChI Key: JSIXOTPZDBZVQP-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C1C=CC=C(C=1)O

Computed Properties

  • Exact Mass: 188.063743068g/mol
  • Monoisotopic Mass: 188.063743068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 20.2?2

3-(2-Fluorophenyl)phenol Pricemore >>

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Additional information on 3-(2-Fluorophenyl)phenol

2'-Fluoro-[1,1'-biphenyl]-3-ol

The compound 2'-Fluoro-[1,1'-biphenyl]-3-ol, also known by its CAS Registry Number CAS NO80254-63-3, is a unique organic molecule that has garnered significant attention in the fields of pharmaceuticals and organic chemistry. This compound belongs to the class of biphenyl derivatives with a hydroxyl group at position 3 on one of the benzene rings and a fluorine atom at position 2' on the adjacent ring. Its structural uniqueness makes it a subject of interest for researchers exploring novel pharmacological agents, as well as in the development of advanced materials.

The biphenyl core structure is known for its rigid and planar nature, which contributes to its stability and ability to participate in various electronic interactions. The presence of fluorine at position 2' introduces additional electronic effects, making this compound a potential candidate for applications that require enhanced reactivity or selectivity. Furthermore, the hydroxyl group at position 3 adds hydrogen bonding capability, which can be exploited in drug design to improve solubility and bioavailability.

Recent studies have highlighted the potential of 2'-Fluoro-[1,1'-biphenyl]-3-ol as a building block for novel pharmaceutical compounds. Its unique electronic properties make it suitable for exploring interactions with biological systems, particularly in the context of enzyme inhibition, receptor binding, and drug delivery systems. Researchers have also investigated its role in material science, where its rigid structure and functional groups can be harnessed to create advanced materials with tailored properties.

In terms of synthesis, 2'-Fluoro-[1,1'-biphenyl]-3-ol can be prepared through various routes, including nucleophilic aromatic substitution and coupling reactions. The introduction of the fluorine atom at position 2' requires careful control over reaction conditions to ensure regioselectivity and avoid undesired byproducts. This compound's synthesis is a testament to the precision required in organic chemistry to achieve complex molecular architectures.

One of the most promising applications of 2'-Fluoro-[1,1'-biphenyl]-3-ol lies in its potential as a template for drug discovery. Its structure provides a scaffold that can be modified to introduce additional functional groups, enabling researchers to explore a wide range of chemical space. For instance, substituting the hydroxyl group with other electron-donating or withdrawing groups could lead to compounds with enhanced biological activity.

Moreover, this compound has been studied for its role in biomedical imaging. The fluorine atom at position 2' can be utilized as a labeling agent in nuclear magnetic resonance (NMR) and positron emission tomography (PET) imaging techniques. This makes 2'-Fluoro-[1,1'-biphenyl]-3-ol a valuable tool for researchers working on diagnostic agents and theranostics, where imaging plays a critical role in monitoring disease progression and treatment efficacy.

Another area of interest is the compound's potential in antiviral drug development. Biphenyl derivatives have been shown to exhibit antiviral activity against various pathogens, including HIV and influenza viruses. The presence of the hydroxyl group and fluorine atom in 2'-Fluoro-[1,1'-biphenyl]-3-ol could contribute to its ability to disrupt viral replication mechanisms, making it a promising candidate for further investigation.

Recent advancements in crystallography have also shed light on the structural properties of 2'-Fluoro-[1,1'-biphenyl]-3-ol. Its rigid biphenyl core and functional groups enable the formation of well-defined crystal structures, which are essential for understanding its electronic behavior and reactivity. These insights are crucial for designing experiments to explore its interactions with biological systems.

Furthermore, this compound has been explored in the context of catalysis. Its unique electronic properties make it a potential candidate for use as a ligand in metal-catalyzed reactions, such as asymmetric hydrogenation and cross-coupling reactions. The ability to tune its electronic properties through substitution patterns offers researchers a versatile tool for enhancing catalytic activity and selectivity.

Given its diverse applications, 2'-Fluoro-[1,1'-biphenyl]-3-ol is poised to play a significant role in future pharmaceutical and materials research. Its unique combination of functional groups and structural features makes it an attractive target for scientists seeking to develop innovative solutions to pressing biomedical challenges.

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