4-[(2-Chlorophenyl)(Hydroxy)Phenylmethyl]Benzoic Acid

: Iupac Name：4-[(2-chlorophenyl)-hydroxy-phenylmethyl]benzoic acid; CAS No.: 172976-68-0; Molecular Weight：338.787g/mol; Modify Date.: 2022-11-06 16:49

1. Names and Identifiers

: 1.1 Name; 4-[(2-Chlorophenyl)(Hydroxy)Phenylmethyl]Benzoic Acid; 1.2 Synonyms; 4-[(2-chlorophenyl)(hydroxy)benzyl]benzoic acid 4-[(2-chlorophenyl)(hydroxy)phenylmethyl]benzoic acid 4-[(2-chlorophenyl)hydroxyphenylmethyl]-benzoic acid CTK4D4434 DTXSID40703422 myqcijnslzdqdi-uhfffaoysa-n

1.6 Inchi: InChI=1S/C20H15ClO3/c21-18-9-5-4-8-17(18)20(24,15-6-2-1-3-7-15)16-12-10-14(11-13-16)19(22)23/h1-13,24H,(H,22,23)

2. Properties

3. Synthesis Route

172976-68-0Total: 1 Synthesis Route

5162-03-8 127 Suppliers

586-76-5 189 Suppliers

172976-68-0 1 Suppliers

Literatures:
Zikos, Christos C.; Ferderigos, Nicolas G. Tetrahedron Letters, 1994 , vol. 35, # 11 p. 1767 - 1768
Yield: ~49%

4. Precursor and Product

precursor:

586-76-5

5162-03-8

5. Computational chemical data

Molecular Weight: 338.787g/molg/mol
Molecular Formula: C₂₀H₁₅ClO₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 338.0709720
Monoisotopic Mass: 338.0709720
Complexity: 427
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 57.5
Heavy Atom Count: 24
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccB4MAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgIACAAADEaAmCAwCIAAAgCIAiDSCAACAAAkBQAIiAEACsgIJjKBFxCAcQAkwAEImYeIyPCOwAAAAAABAACAAAAAAAIAAAAAAAAAAA==