(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol

C13H15NO3 — CID 11107234

IUPAC(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol
SMILESCOc1cc2cnc(CO)c(C)c2cc1OC
InChIInChI=1S/C13H15NO3/c1-8-10-5-13(17-3)12(16-2)4-9(10)6-14-11(8)7-15/h4-6,15H,7H2,1-3H3
InChIKeyWVCMYKOMBWCITO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.05
Rot. Bonds3

About (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol

(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol (PubChem CID 11107234) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol
PubChem CID11107234
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol
SMILESCOc1cc2cnc(CO)c(C)c2cc1OC
InChIInChI=1S/C13H15NO3/c1-8-10-5-13(17-3)12(16-2)4-9(10)6-14-11(8)7-15/h4-6,15H,7H2,1-3H3
InChIKeyWVCMYKOMBWCITO-UHFFFAOYSA-N
XLogP2.05
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol?
The IUPAC name of (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol (CID 11107234) is (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol.
What is the SMILES notation for (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol?
The canonical SMILES for (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol is COc1cc2cnc(CO)c(C)c2cc1OC.
What is the InChIKey of (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol?
The InChIKey is WVCMYKOMBWCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-10-5-13(17-3)12(16-2)4-9(10)6-14-11(8)7-15/h4-6,15H,7H2,1-3H3.
What are the key properties of (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol?
(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol has a molecular weight of 233.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol is sourced from PubChem (CID 11107234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).