[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

C11H15NO2 — CID 130682443

IUPAC[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESCOc1ccc2c(c1)C[C@@H](CO)NC2
InChIInChI=1S/C11H15NO2/c1-14-11-3-2-8-6-12-10(7-13)4-9(8)5-11/h2-3,5,10,12-13H,4,6-7H2,1H3/t10-/m0/s1
InChIKeyBQXMXIUUVWBEJR-JTQLQIEISA-N
MW193.25 g/mol
LogP0.70
Rot. Bonds2

About [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 130682443) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID130682443
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESCOc1ccc2c(c1)C[C@@H](CO)NC2
InChIInChI=1S/C11H15NO2/c1-14-11-3-2-8-6-12-10(7-13)4-9(8)5-11/h2-3,5,10,12-13H,4,6-7H2,1H3/t10-/m0/s1
InChIKeyBQXMXIUUVWBEJR-JTQLQIEISA-N
XLogP0.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol with MolForge

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Related Compounds

3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
CID 105476247
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960
(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 92598631
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
methyl 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105480345
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041

Frequently Asked Questions

What is the IUPAC name of [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 130682443) is [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is COc1ccc2c(c1)C[C@@H](CO)NC2.
What is the InChIKey of [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is BQXMXIUUVWBEJR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11-3-2-8-6-12-10(7-13)4-9(8)5-11/h2-3,5,10,12-13H,4,6-7H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol has a molecular weight of 193.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 130682443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).