1-(3-methylisoquinolin-7-yl)propan-2-ol

C13H15NO — CID 117290221

IUPAC1-(3-methylisoquinolin-7-yl)propan-2-ol
SMILESCc1cc2ccc(CC(C)O)cc2cn1
InChIInChI=1S/C13H15NO/c1-9-5-12-4-3-11(6-10(2)15)7-13(12)8-14-9/h3-5,7-8,10,15H,6H2,1-2H3
InChIKeyOPZBKRBFDOULHL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds2

About 1-(3-methylisoquinolin-7-yl)propan-2-ol

1-(3-methylisoquinolin-7-yl)propan-2-ol (PubChem CID 117290221) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-methylisoquinolin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylisoquinolin-7-yl)propan-2-ol
PubChem CID117290221
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(3-methylisoquinolin-7-yl)propan-2-ol
SMILESCc1cc2ccc(CC(C)O)cc2cn1
InChIInChI=1S/C13H15NO/c1-9-5-12-4-3-11(6-10(2)15)7-13(12)8-14-9/h3-5,7-8,10,15H,6H2,1-2H3
InChIKeyOPZBKRBFDOULHL-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylisoquinolin-7-yl)propan-2-ol?
The IUPAC name of 1-(3-methylisoquinolin-7-yl)propan-2-ol (CID 117290221) is 1-(3-methylisoquinolin-7-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methylisoquinolin-7-yl)propan-2-ol?
The canonical SMILES for 1-(3-methylisoquinolin-7-yl)propan-2-ol is Cc1cc2ccc(CC(C)O)cc2cn1.
What is the InChIKey of 1-(3-methylisoquinolin-7-yl)propan-2-ol?
The InChIKey is OPZBKRBFDOULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-5-12-4-3-11(6-10(2)15)7-13(12)8-14-9/h3-5,7-8,10,15H,6H2,1-2H3.
What are the key properties of 1-(3-methylisoquinolin-7-yl)propan-2-ol?
1-(3-methylisoquinolin-7-yl)propan-2-ol has a molecular weight of 201.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylisoquinolin-7-yl)propan-2-ol is sourced from PubChem (CID 117290221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).