Cas no 58456-88-5 (Phenol, 2-iodo-4-(1-methylethyl)-)

Phenol, 2-iodo-4-(1-methylethyl)- structure
58456-88-5 structure
Product Name:Phenol, 2-iodo-4-(1-methylethyl)-
CAS No:58456-88-5
MF:C9H11IO
MW:262.087515115738
CID:342003
PubChem ID:12652100
Update Time:2025-04-19

Phenol, 2-iodo-4-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-iodo-4-(1-methylethyl)-
    • 2-iodo-4-isopropylphenol
    • 2-iodo-4-propan-2-ylphenol
    • 2-IODO-4-(PROPAN-2-YL)PHENOL
    • 2-iodo-4-(1-methylethyl)phenol
    • 58456-88-5
    • DTXSID90505756
    • AKOS026732198
    • MB22548
    • QRIAFNSSHHQLEI-UHFFFAOYSA-N
    • SCHEMBL788149
    • FT-0741533
    • Inchi: 1S/C9H11IO/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6,11H,1-2H3
    • InChI Key: QRIAFNSSHHQLEI-UHFFFAOYSA-N
    • SMILES: IC1=C(C=CC(=C1)C(C)C)O

Computed Properties

  • Exact Mass: 261.98503
  • Monoisotopic Mass: 261.98546g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 125
  • 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: 3.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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