4-[(6,7-Dimethoxy-1-Isoquinolinyl)Methyl]-2-Methoxyphenol

Molecule SVG Image

Properties Simple | Detailed

Formula C19H19NO4
IUPAC Name 4-[(6,7-dimethoxy-1-isoquinolyl)methyl]-2-methoxy-phenol
Molecular Mass 325.358 g·mol−1
Heat of Formation -366.3 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 382.7 Å 3
Surface Area 346.37 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-hydroxypapaverine
  • 4-[(6,7-dimethoxy-1-isoquinolyl)methyl]-2-methoxyphenol
  • 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxy-phenol
  • 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
  • desmethylpapaverine, 4'-
  • papaverine, 4'-desmethyl
  • phenol, 4-((6,7-dimethoxy-1-isoquinolinyl)methyl)-2-methoxy-
CAS Number(s)
  • 18813-60-0
InChIKey NKHOXTRNHKKYSU-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N