Cas no 113334-55-7 (Benzofuran,3-methyl-2-(1-methylethyl)-)

Benzofuran,3-methyl-2-(1-methylethyl)- structure
113334-55-7 structure
Product Name:Benzofuran,3-methyl-2-(1-methylethyl)-
CAS No:113334-55-7
MF:C12H14O
MW:174.238963603973
CID:130130
PubChem ID:13841619
Update Time:2025-04-19

Benzofuran,3-methyl-2-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzofuran,3-methyl-2-(1-methylethyl)-
    • Benzofuran, 3-methyl-2-(1-methylethyl)- (9CI)
    • 2-isopropyl-3-methyl-benzofuran
    • SCHEMBL10129515
    • 2-Isopropyl-3-methylbenzofuran
    • 3-methyl-2-propan-2-yl-1-benzofuran
    • 113334-55-7
    • Inchi: 1S/C12H14O/c1-8(2)12-9(3)10-6-4-5-7-11(10)13-12/h4-8H,1-3H3
    • InChI Key: JDRVBQXORVDDFK-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2C(C)=C1C(C)C

Computed Properties

  • Exact Mass: 174.10452
  • Monoisotopic Mass: 174.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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: 3.9
  • Topological Polar Surface Area: 13.1?2

Experimental Properties

  • PSA: 13.14
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