5-butylisoquinolin-8-ol

C13H15NO — CID 137082898

IUPAC5-butylisoquinolin-8-ol
SMILESCCCCc1ccc(O)c2cnccc12
InChIInChI=1S/C13H15NO/c1-2-3-4-10-5-6-13(15)12-9-14-8-7-11(10)12/h5-9,15H,2-4H2,1H3
InChIKeyIVEYDKKUDWHWPI-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.28
Rot. Bonds3

About 5-butylisoquinolin-8-ol

5-butylisoquinolin-8-ol (PubChem CID 137082898) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-butylisoquinolin-8-ol.

Molecular Properties

Compound Name5-butylisoquinolin-8-ol
PubChem CID137082898
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-butylisoquinolin-8-ol
SMILESCCCCc1ccc(O)c2cnccc12
InChIInChI=1S/C13H15NO/c1-2-3-4-10-5-6-13(15)12-9-14-8-7-11(10)12/h5-9,15H,2-4H2,1H3
InChIKeyIVEYDKKUDWHWPI-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butylisoquinolin-8-ol?
The IUPAC name of 5-butylisoquinolin-8-ol (CID 137082898) is 5-butylisoquinolin-8-ol.
What is the SMILES notation for 5-butylisoquinolin-8-ol?
The canonical SMILES for 5-butylisoquinolin-8-ol is CCCCc1ccc(O)c2cnccc12.
What is the InChIKey of 5-butylisoquinolin-8-ol?
The InChIKey is IVEYDKKUDWHWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-4-10-5-6-13(15)12-9-14-8-7-11(10)12/h5-9,15H,2-4H2,1H3.
What are the key properties of 5-butylisoquinolin-8-ol?
5-butylisoquinolin-8-ol has a molecular weight of 201.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylisoquinolin-8-ol is sourced from PubChem (CID 137082898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).