5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

C11H15NO2 — CID 122504635

IUPAC5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1cccc2c1C(O)CN(C)C2
InChIInChI=1S/C11H15NO2/c1-12-6-8-4-3-5-10(14-2)11(8)9(13)7-12/h3-5,9,13H,6-7H2,1-2H3
InChIKeyCMQFFLCZKCKTRG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.17
Rot. Bonds1

About 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 122504635) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID122504635
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1cccc2c1C(O)CN(C)C2
InChIInChI=1S/C11H15NO2/c1-12-6-8-4-3-5-10(14-2)11(8)9(13)7-12/h3-5,9,13H,6-7H2,1-2H3
InChIKeyCMQFFLCZKCKTRG-UHFFFAOYSA-N
XLogP1.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 122504635) is 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is COc1cccc2c1C(O)CN(C)C2.
What is the InChIKey of 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is CMQFFLCZKCKTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-6-8-4-3-5-10(14-2)11(8)9(13)7-12/h3-5,9,13H,6-7H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 193.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 122504635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).