3-isoquinolin-1-ylphenol

C15H11NO — CID 50950159

IUPAC3-isoquinolin-1-ylphenol
SMILESOc1cccc(-c2nccc3ccccc23)c1
InChIInChI=1S/C15H11NO/c17-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-16-15/h1-10,17H
InChIKeySTGPFROIOATLNH-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.61
Rot. Bonds1

About 3-isoquinolin-1-ylphenol

3-isoquinolin-1-ylphenol (PubChem CID 50950159) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-isoquinolin-1-ylphenol.

Molecular Properties

Compound Name3-isoquinolin-1-ylphenol
PubChem CID50950159
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-isoquinolin-1-ylphenol
SMILESOc1cccc(-c2nccc3ccccc23)c1
InChIInChI=1S/C15H11NO/c17-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-16-15/h1-10,17H
InChIKeySTGPFROIOATLNH-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-ylphenol?
The IUPAC name of 3-isoquinolin-1-ylphenol (CID 50950159) is 3-isoquinolin-1-ylphenol.
What is the SMILES notation for 3-isoquinolin-1-ylphenol?
The canonical SMILES for 3-isoquinolin-1-ylphenol is Oc1cccc(-c2nccc3ccccc23)c1.
What is the InChIKey of 3-isoquinolin-1-ylphenol?
The InChIKey is STGPFROIOATLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-16-15/h1-10,17H.
What are the key properties of 3-isoquinolin-1-ylphenol?
3-isoquinolin-1-ylphenol has a molecular weight of 221.26 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-ylphenol is sourced from PubChem (CID 50950159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).