1-phenyl-2-quinolin-2-ylethanol

C17H15NO — CID 12857976

IUPAC1-phenyl-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H15NO/c19-17(14-7-2-1-3-8-14)12-15-11-10-13-6-4-5-9-16(13)18-15/h1-11,17,19H,12H2
InChIKeyPNJFPHVFEWNNKV-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.51
Rot. Bonds3

About 1-phenyl-2-quinolin-2-ylethanol

1-phenyl-2-quinolin-2-ylethanol (PubChem CID 12857976) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-phenyl-2-quinolin-2-ylethanol.

Molecular Properties

Compound Name1-phenyl-2-quinolin-2-ylethanol
PubChem CID12857976
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-phenyl-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H15NO/c19-17(14-7-2-1-3-8-14)12-15-11-10-13-6-4-5-9-16(13)18-15/h1-11,17,19H,12H2
InChIKeyPNJFPHVFEWNNKV-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-quinolin-2-ylethanol?
The IUPAC name of 1-phenyl-2-quinolin-2-ylethanol (CID 12857976) is 1-phenyl-2-quinolin-2-ylethanol.
What is the SMILES notation for 1-phenyl-2-quinolin-2-ylethanol?
The canonical SMILES for 1-phenyl-2-quinolin-2-ylethanol is OC(Cc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-quinolin-2-ylethanol?
The InChIKey is PNJFPHVFEWNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17(14-7-2-1-3-8-14)12-15-11-10-13-6-4-5-9-16(13)18-15/h1-11,17,19H,12H2.
What are the key properties of 1-phenyl-2-quinolin-2-ylethanol?
1-phenyl-2-quinolin-2-ylethanol has a molecular weight of 249.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-quinolin-2-ylethanol is sourced from PubChem (CID 12857976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).