Cas no 13345-63-6 (tetraphen-12-ylmethanol)

tetraphen-12-ylmethanol structure
tetraphen-12-ylmethanol structure
Product Name:tetraphen-12-ylmethanol
CAS No:13345-63-6
MF:C19H14O
MW:258.313865184784
CID:1238122
PubChem ID:166794
Update Time:2025-04-20

tetraphen-12-ylmethanol Chemical and Physical Properties

Names and Identifiers

    • tetraphen-12-ylmethanol
    • 12-Tetraphenylmethanol
    • Benz(a)anthracene-12-methanol
    • benz[a]anthracene-12-methanol
    • benzo[a]anthracen-12-ylmethanol
    • 13345-63-6
    • DTXSID50158121
    • Inchi: 1S/C19H14O/c20-12-18-16-7-3-2-6-14(16)11-15-10-9-13-5-1-4-8-17(13)19(15)18/h1-11,20H,12H2
    • InChI Key: KBNLYDAOPULDAS-UHFFFAOYSA-N
    • SMILES: OCC1C2C=CC=CC=2C=C2C=CC3C=CC=CC=3C=12

Computed Properties

  • Exact Mass: 258.10452
  • Monoisotopic Mass: 258.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 339
  • 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: 4.8
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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