Cas no 126675-89-6 (Methyl 4'-(benzyloxy)-4-biphenylcarboxylate)

Methyl 4'-(benzyloxy)-4-biphenylcarboxylate structure
126675-89-6 structure
Product Name:Methyl 4'-(benzyloxy)-4-biphenylcarboxylate
CAS No:126675-89-6
MF:C21H18O3
MW:318.365826129913
CID:1220638
PubChem ID:15084903
Update Time:2025-04-20

Methyl 4'-(benzyloxy)-4-biphenylcarboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4'-(benzyloxy)-4-biphenylcarboxylate
    • METHYL 4'-(BENZYLOXY)[1,1'-BIPHENYL]-4-CARBOXYLATE
    • 4-benzyloxybiphenyl-4'-carboxylic acid methyl ester
    • methyl 4-[4-(benzyloxy)phenyl]benzoate
    • 126675-89-6
    • AKOS004116413
    • SLFXCPSDPIEFHC-UHFFFAOYSA-N
    • Methyl-4'-(benzyloxy)-biphenyl-4-carboxylate
    • Methyl 4'-(benzyloxy)-[1,1'-biphenyl]-4-carboxylate
    • SCHEMBL9343582
    • Methyl4'-(benzyloxy)-[1,1'-biphenyl]-4-carboxylate
    • MDL: MFCD06802263
    • Inchi: 1S/C21H18O3/c1-23-21(22)19-9-7-17(8-10-19)18-11-13-20(14-12-18)24-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
    • InChI Key: SLFXCPSDPIEFHC-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 318.12564
  • Monoisotopic Mass: 318.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 373
  • 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: 4.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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