(1S)-6-Chloro-1-(2,5-Dimethoxy-4-Propylbenzyl)-2-Methyl-1,2,3,4-Tetrahydro-7-Isoquinolinol

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Properties Simple | Detailed

Formula C22H28ClNO3
IUPAC Name (1s,2s)-6-chloro-1-[(2,5-dimethoxy-4-propyl-phenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
Molecular Mass 389.916 g·mol−1
Heat of Formation -460.1 ± 16.7 kJ·mol−1
Dipole Moment 0.38 ± 1.08 D
Volume 471.93 Å 3
Surface Area 406.26 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-6-chloro-1-(2,5-dimethoxy-4-propyl-benzyl)-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (1s)-6-chloro-1-[(2,5-dimethoxy-4-propyl-phenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (1s)-6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • 6-chloro-1-(2,5-dimethoxy-4-propylbenzyl)-7-hydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
  • 7-isoquinolinol, 6-chloro-1-((2,5-dimethoxy-4-propylphenyl)methyl)-1,2,3,4-tetrahydro-2-methyl-, (s)-
  • bw 736c
  • bw 737c
  • bw 737c89
  • bw-737c89
CAS Number(s)
  • 139485-39-5
InChIKey MGBDPWBQYMLBMQ-IBGZPJMESA-N
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