[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

C12H17NO3 — CID 39345525

IUPAC[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESCOc1cc2c(cc1OC)C[C@H](CO)NC2
InChIInChI=1S/C12H17NO3/c1-15-11-4-8-3-10(7-14)13-6-9(8)5-12(11)16-2/h4-5,10,13-14H,3,6-7H2,1-2H3/t10-/m1/s1
InChIKeyWFLGZUQISHZFPS-SNVBAGLBSA-N
MW223.27 g/mol
LogP0.71
Rot. Bonds3

About [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 39345525) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID39345525
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESCOc1cc2c(cc1OC)C[C@H](CO)NC2
InChIInChI=1S/C12H17NO3/c1-15-11-4-8-3-10(7-14)13-6-9(8)5-12(11)16-2/h4-5,10,13-14H,3,6-7H2,1-2H3/t10-/m1/s1
InChIKeyWFLGZUQISHZFPS-SNVBAGLBSA-N
XLogP0.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol
CID 83957143
N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
CID 83957160
tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462
(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 7201454
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10882055
(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol
CID 84659242
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170736167
3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
CID 134425720
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 15296734

Frequently Asked Questions

What is the IUPAC name of [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 39345525) is [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is COc1cc2c(cc1OC)C[C@H](CO)NC2.
What is the InChIKey of [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is WFLGZUQISHZFPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-11-4-8-3-10(7-14)13-6-9(8)5-12(11)16-2/h4-5,10,13-14H,3,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol has a molecular weight of 223.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 39345525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).