5-phenylisoquinolin-4-ol

C15H11NO — CID 150358431

IUPAC5-phenylisoquinolin-4-ol
SMILESOc1cncc2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H11NO/c17-14-10-16-9-12-7-4-8-13(15(12)14)11-5-2-1-3-6-11/h1-10,17H
InChIKeyGVFJAGPTAYXYBJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.61
Rot. Bonds1

About 5-phenylisoquinolin-4-ol

5-phenylisoquinolin-4-ol (PubChem CID 150358431) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-phenylisoquinolin-4-ol.

Molecular Properties

Compound Name5-phenylisoquinolin-4-ol
PubChem CID150358431
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name5-phenylisoquinolin-4-ol
SMILESOc1cncc2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H11NO/c17-14-10-16-9-12-7-4-8-13(15(12)14)11-5-2-1-3-6-11/h1-10,17H
InChIKeyGVFJAGPTAYXYBJ-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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Related Compounds

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5-phenyl-4-(trifluoromethyl)pyridin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 5-phenylisoquinolin-4-ol?
The IUPAC name of 5-phenylisoquinolin-4-ol (CID 150358431) is 5-phenylisoquinolin-4-ol.
What is the SMILES notation for 5-phenylisoquinolin-4-ol?
The canonical SMILES for 5-phenylisoquinolin-4-ol is Oc1cncc2cccc(-c3ccccc3)c12.
What is the InChIKey of 5-phenylisoquinolin-4-ol?
The InChIKey is GVFJAGPTAYXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-14-10-16-9-12-7-4-8-13(15(12)14)11-5-2-1-3-6-11/h1-10,17H.
What are the key properties of 5-phenylisoquinolin-4-ol?
5-phenylisoquinolin-4-ol 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 5-phenylisoquinolin-4-ol is sourced from PubChem (CID 150358431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).