1-(2-pyridin-2-ylphenyl)but-3-en-1-ol

C15H15NO — CID 102575280

IUPAC1-(2-pyridin-2-ylphenyl)but-3-en-1-ol
SMILESC=CCC(O)c1ccccc1-c1ccccn1
InChIInChI=1S/C15H15NO/c1-2-7-15(17)13-9-4-3-8-12(13)14-10-5-6-11-16-14/h2-6,8-11,15,17H,1,7H2
InChIKeyYDXZBPNQHFIRCT-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol

1-(2-pyridin-2-ylphenyl)but-3-en-1-ol (PubChem CID 102575280) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(2-pyridin-2-ylphenyl)but-3-en-1-ol
PubChem CID102575280
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(2-pyridin-2-ylphenyl)but-3-en-1-ol
SMILESC=CCC(O)c1ccccc1-c1ccccn1
InChIInChI=1S/C15H15NO/c1-2-7-15(17)13-9-4-3-8-12(13)14-10-5-6-11-16-14/h2-6,8-11,15,17H,1,7H2
InChIKeyYDXZBPNQHFIRCT-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol?
The IUPAC name of 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol (CID 102575280) is 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol.
What is the SMILES notation for 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol?
The canonical SMILES for 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol is C=CCC(O)c1ccccc1-c1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol?
The InChIKey is YDXZBPNQHFIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-7-15(17)13-9-4-3-8-12(13)14-10-5-6-11-16-14/h2-6,8-11,15,17H,1,7H2.
What are the key properties of 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol?
1-(2-pyridin-2-ylphenyl)but-3-en-1-ol has a molecular weight of 225.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylphenyl)but-3-en-1-ol is sourced from PubChem (CID 102575280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).