4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol

C15H13NO — CID 3043556

IUPAC4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1ccccc1)c1ccccn1
InChIInChI=1S/C15H13NO/c1-15(17,14-9-5-6-12-16-14)11-10-13-7-3-2-4-8-13/h2-9,12,17H,1H3
InChIKeyKLEPIYFAJPBWKT-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.34
Rot. Bonds1

About 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol

4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol (PubChem CID 3043556) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol
PubChem CID3043556
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1ccccc1)c1ccccn1
InChIInChI=1S/C15H13NO/c1-15(17,14-9-5-6-12-16-14)11-10-13-7-3-2-4-8-13/h2-9,12,17H,1H3
InChIKeyKLEPIYFAJPBWKT-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.34
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 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol?
The IUPAC name of 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol (CID 3043556) is 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol.
What is the SMILES notation for 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol?
The canonical SMILES for 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol is CC(O)(C#Cc1ccccc1)c1ccccn1.
What is the InChIKey of 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol?
The InChIKey is KLEPIYFAJPBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-15(17,14-9-5-6-12-16-14)11-10-13-7-3-2-4-8-13/h2-9,12,17H,1H3.
What are the key properties of 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol?
4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol has a molecular weight of 223.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-2-ylbut-3-yn-2-ol is sourced from PubChem (CID 3043556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).