2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol

C17H15NO — CID 24777189

IUPAC2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CCCc2nc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2
InChIKeyVUDNTKZUIAXLLZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.85
Rot. Bonds

About 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol

2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 24777189) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol
PubChem CID24777189
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CCCc2nc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2
InChIKeyVUDNTKZUIAXLLZ-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol?
The IUPAC name of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol (CID 24777189) is 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol.
What is the SMILES notation for 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol?
The canonical SMILES for 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol is OC1CCCc2nc(C#Cc3ccccc3)ccc21.
What is the InChIKey of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol?
The InChIKey is VUDNTKZUIAXLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2.
What are the key properties of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol?
2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 249.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 24777189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).