(1S)-1-(4-Hydroxy-3-Methoxybenzyl)-7-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-8-Isoquinolinol

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Properties Simple | Detailed

Formula C19H23NO4
IUPAC Name (1s,2s)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-8-ol
Molecular Mass 329.390 g·mol−1
Heat of Formation -528.0 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 396.97 Å 3
Surface Area 332.73 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(4-hydroxy-3-methoxy-benzyl)-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-8-ol
  • (1s)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-8-ol
  • (1s)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-8-ol
  • 8-isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-methoxyphenyl)methyl)-7-methoxy-2-methyl-, (s)-
  • isocrasifoline
CAS Number(s)
  • 135213-48-8
InChIKey HQWZPWYHADPXQD-AWEZNQCLSA-N
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