(S)-(-)-Cherylline

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Properties Simple | Detailed

Formula C17H19NO3
IUPAC Name (2s,4s)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
Molecular Mass 285.338 g·mol−1
Heat of Formation -334.5 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 347.34 Å 3
Surface Area 304.3 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • cherylline
CAS Number(s)
  • 23367-61-5
InChIKey VXXVFIKKBBVGIR-HNNXBMFYSA-N
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