Cas no 88916-61-4 (2-(phenanthren-4-yl)ethanol)

2-(phenanthren-4-yl)ethanol structure
2-(phenanthren-4-yl)ethanol structure
Product Name:2-(phenanthren-4-yl)ethanol
CAS No:88916-61-4
MF:C16H14O
MW:222.281764507294
CID:993482
PubChem ID:263268
Update Time:2025-04-20

2-(phenanthren-4-yl)ethanol Chemical and Physical Properties

Names and Identifiers

    • 2-(phenanthren-4-yl)ethanol
    • 2-phenanthren-4-ylethanol
    • NSC97652
    • NSC-97652
    • 88916-61-4
    • 4-Phenanthreneethanol
    • DTXSID70294691
    • Inchi: 1S/C16H14O/c17-11-10-14-6-3-5-13-9-8-12-4-1-2-7-15(12)16(13)14/h1-9,17H,10-11H2
    • InChI Key: RFAVOBZDPQHPGU-UHFFFAOYSA-N
    • SMILES: OCCC1C=CC=C2C=CC3C=CC=CC=3C=12

Computed Properties

  • Exact Mass: 222.104
  • Monoisotopic Mass: 222.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 250
  • 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
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.182
  • Boiling Point: 425.6°C at 760 mmHg
  • Flash Point: 190.9°C
  • Refractive Index: 1.704
  • PSA: 20.23000
  • LogP: 3.52780
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