Cas no 75852-55-0 ([1,1'-Biphenyl]-3-aceticacid, 4'-methoxy-a-methyl-)

[1,1'-Biphenyl]-3-aceticacid, 4'-methoxy-a-methyl- structure
75852-55-0 structure
Product Name:[1,1'-Biphenyl]-3-aceticacid, 4'-methoxy-a-methyl-
CAS No:75852-55-0
MF:C16H16O3
MW:256.296444892883
CID:576251
PubChem ID:53380
Update Time:2025-04-19

[1,1'-Biphenyl]-3-aceticacid, 4'-methoxy-a-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-aceticacid, 4'-methoxy-a-methyl-
    • [1,1'-biphenyl]-3-acetic acid, 4'-methoxy-alpha-methyl-
    • 2-[3-(4-methoxyphenyl)phenyl]propanoic acid
    • 4'-Methoxy-alpha-methyl-3-biphenylacetic acid
    • 75852-55-0
    • BRN 5040574
    • CHEMBL142608
    • DTXSID10997235
    • 2-(4'-Methoxy[1,1'-biphenyl]-3-yl)propanoic acid
    • 3-BIPHENYLACETIC ACID, 4'-METHOXY-alpha-METHYL-
    • Inchi: 1S/C16H16O3/c1-11(16(17)18)13-4-3-5-14(10-13)12-6-8-15(19-2)9-7-12/h3-11H,1-2H3,(H,17,18)
    • InChI Key: IDHNIRUPVNMYEF-UHFFFAOYSA-N
    • SMILES: OC(C(C)C1C=CC=C(C2C=CC(=CC=2)OC)C=1)=O

Computed Properties

  • Exact Mass: 256.109944368g/mol
  • Monoisotopic Mass: 256.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 46.5?2
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