Cas no 1261893-61-1 (5-(3,5-Dimethylphenyl)-3-fluorophenol)

5-(3,5-Dimethylphenyl)-3-fluorophenol is a fluorinated phenolic compound characterized by its unique structural features, including a 3,5-dimethylphenyl substitution and a fluorine atom at the meta position of the phenol ring. This configuration imparts distinct electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The fluorine substitution enhances metabolic stability and binding affinity in bioactive molecules, while the dimethylphenyl group contributes to increased lipophilicity. Its well-defined structure ensures consistent reactivity, particularly in cross-coupling reactions and as a building block for advanced materials. Suitable for controlled functionalization, this compound is of interest in medicinal chemistry and material science applications.

5-(3,5-Dimethylphenyl)-3-fluorophenol structure

1261893-61-1 structure

Product Name:5-(3,5-Dimethylphenyl)-3-fluorophenol

CAS No:1261893-61-1

MF:C₁₄H₁₃FO

MW:216.250827550888

MDL:MFCD18313598

CID:2761767

PubChem ID:53219285

Update Time:2025-10-29

5-(3,5-Dimethylphenyl)-3-fluorophenol Chemical and Physical Properties

Names and Identifiers

- DTXSID90684136
- MFCD18313598
- 1261893-61-1
- 5-(3,5-Dimethylphenyl)-3-fluorophenol, 95%
- 5-(3,5-DIMETHYLPHENYL)-3-FLUOROPHENOL
- AKOS017556989
- 5-Fluoro-3',5'-dimethyl[1,1'-biphenyl]-3-ol
- 5-(3,5-Dimethylphenyl)-3-fluorophenol
- MDL： MFCD18313598
- Inchi： 1S/C14H13FO/c1-9-3-10(2)5-11(4-9)12-6-13(15)8-14(16)7-12/h3-8,16H,1-2H3
- InChI Key： SGBNOIBTMUKFDC-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)C1C=C(C)C=C(C)C=1)O

Computed Properties

Exact Mass: 216.095043196g/mol
Monoisotopic Mass: 216.095043196g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 16
Rotatable Bond Count: 1
Complexity: 221
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: 4
Topological Polar Surface Area: 20.2?2

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Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time	Inquiry
abcr	AB319630-5 g	5-(3,5-Dimethylphenyl)-3-fluorophenol, 95%; .	1261893-61-1	95%	5g	€1159.00	2023-04-26
abcr	AB319630-5g	5-(3,5-Dimethylphenyl)-3-fluorophenol, 95%; .	1261893-61-1	95%	5g	€1159.00	2025-04-21