6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol

C11H17NO2 — CID 140740893

IUPAC6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol
SMILESCOC1=C(O)C=C2CN(C)CCC2C1
InChIInChI=1S/C11H17NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5,8,13H,3-4,6-7H2,1-2H3
InChIKeyBVNVZOBRXAHXFY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.68
Rot. Bonds1

About 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol

6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol (PubChem CID 140740893) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol
PubChem CID140740893
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol
SMILESCOC1=C(O)C=C2CN(C)CCC2C1
InChIInChI=1S/C11H17NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5,8,13H,3-4,6-7H2,1-2H3
InChIKeyBVNVZOBRXAHXFY-UHFFFAOYSA-N
XLogP1.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol with MolForge

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Related Compounds

6,7-Dihydroxy-2,2-dimethyltetrahydroisoquinolinium iodide
CID 129678117
r-N-methyl-6,7-dihydroxy-tetrahydroisoquinoline
CID 129705423
1-Hydroxy-6,7-dimethoxy-2-methyltetrahydroisoquinoline
CID 129819384
6-hydroxy-7-methoxy-N-methyl tetrahydroisoquinoline
CID 129820601
8-Hydroxy-7-methoxy-2-methyltetrahydroisoquinoline
CID 129820635
7-hydroxy-8-methoxy-N-methyltetrahydroisoquinoline
CID 129820648
1-(6-hydroxy-7-methoxy-3,4,4a,5-tetrahydro-1H-isoquinolin-2-yl)ethanone
CID 67902608
1-(7-hydroxy-6-methoxy-3,4,4a,5-tetrahydro-1H-isoquinolin-2-yl)ethanone
CID 67902672
6-methoxy-2,7-dipentyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68535906
6-methoxy-2-pentyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68537925
7-ethyl-2-pentyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-ol
CID 68539267
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline-6,7-diol
CID 69719627

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol?
The IUPAC name of 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol (CID 140740893) is 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol?
The canonical SMILES for 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol is COC1=C(O)C=C2CN(C)CCC2C1.
What is the InChIKey of 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol?
The InChIKey is BVNVZOBRXAHXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5,8,13H,3-4,6-7H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol?
6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol has a molecular weight of 195.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 140740893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).