1-pyrenebutanol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 3
PubChem 2762672
Molecular Formula

C20H18O

SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCO

InChI

InChI=1S/C20H18O/c21-13-2-1-4-14-7-8-17-10-9-15-5-3-6-16-11-12-18(14)20(17)19(15)16/h3,5-12,21H,1-2,4,13H2

synonyms
  • 1-Pyrenebutanol
  • 67000-89-9
  • 4-(1-Pyrenyl)butanol
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Properties
Property Value
MW 274.4 g/mol
HBD 1
HBA 1
Rotatable Bond Count 4
Exact Mass 274.135765193 g/mol
Monoisotopic Mass 274.135765193 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 352
xlogp 5.3
Topological Polar Surface Area 20.2