Cas no 742058-34-0 (2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]-)

2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]- structure
742058-34-0 structure
Product Name:2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]-
CAS No:742058-34-0
MF:C18H14O3S
MW:310.366963863373
CID:1766285
PubChem ID:20100038
Update Time:2025-04-21

2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]-
    • Nurr1 agonist 2
    • AKOS004118938
    • BRNQGIMGJSDTMI-UHFFFAOYSA-N
    • DA-66276
    • 5-(4-benzyloxyphenyl)thiophene-2-carboxylic acid
    • SCHEMBL6029886
    • Nurr1 agonist 2?
    • 742058-34-0
    • 5-[4-(Benzyloxy)phenyl]-2-thiophenecarboxylic acid
    • CS-0761574
    • HY-W677684
    • GLXC-27425
    • Inchi: 1S/C18H14O3S/c19-18(20)17-11-10-16(22-17)14-6-8-15(9-7-14)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)
    • InChI Key: BRNQGIMGJSDTMI-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC=C1C1C=CC(=CC=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 310.06636548g/mol
  • Monoisotopic Mass: 310.06636548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 359
  • 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: 4.6
  • Topological Polar Surface Area: 74.8?2

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