Cas no 63855-88-9 (Benzenemethanol, a-(2-phenylcyclopropyl)-, [1a(R*),2b]- (9CI))

Benzenemethanol, a-(2-phenylcyclopropyl)-, [1a(R*),2b]- (9CI) structure
63855-88-9 structure
Product Name:Benzenemethanol, a-(2-phenylcyclopropyl)-, [1a(R*),2b]- (9CI)
CAS No:63855-88-9
MF:C16H16O
MW:224.297644615173
CID:517890
PubChem ID:44835
Update Time:2025-04-19

Benzenemethanol, a-(2-phenylcyclopropyl)-, [1a(R*),2b]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, a-(2-phenylcyclopropyl)-, [1a(R*),2b]- (9CI)
    • phenyl-(2-phenylcyclopropyl)methanol
    • Inchi: 1S/C16H16O/c17-16(13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12/h1-10,14-17H,11H2
    • InChI Key: MQINXSLAFBQJMF-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC=CC=1)C1CC1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 224.12018
  • Monoisotopic Mass: 224.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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