(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol

C12H17NO2 — CID 83957143

IUPAC(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol
SMILESCOc1cc2c(cc1CO)CC(C)NC2
InChIInChI=1S/C12H17NO2/c1-8-3-9-4-11(7-14)12(15-2)5-10(9)6-13-8/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyQYWJQGGWNYKUQA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.22
Rot. Bonds2

About (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol

(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol (PubChem CID 83957143) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol
PubChem CID83957143
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol
SMILESCOc1cc2c(cc1CO)CC(C)NC2
InChIInChI=1S/C12H17NO2/c1-8-3-9-4-11(7-14)12(15-2)5-10(9)6-13-8/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyQYWJQGGWNYKUQA-UHFFFAOYSA-N
XLogP1.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170736167
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
CID 83957160
(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 95366245
(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 7201454
tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10882055
(6-methoxy-1,2-dimethyl-3H-indazol-5-yl)methanol
CID 156518659
(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol
CID 19841217
(3S)-6-iodo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 131106139
(6-methoxy-3,4-dihydro-2H-chromen-7-yl)methanol
CID 10241724

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol?
The IUPAC name of (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol (CID 83957143) is (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol.
What is the SMILES notation for (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol?
The canonical SMILES for (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol is COc1cc2c(cc1CO)CC(C)NC2.
What is the InChIKey of (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol?
The InChIKey is QYWJQGGWNYKUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-9-4-11(7-14)12(15-2)5-10(9)6-13-8/h4-5,8,13-14H,3,6-7H2,1-2H3.
What are the key properties of (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol?
(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol is sourced from PubChem (CID 83957143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).