4-(5-phenyl-2-pyridinyl)butan-1-ol

C15H17NO — CID 12051004

IUPAC4-(5-phenyl-2-pyridinyl)butan-1-ol
SMILESOCCCCc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C15H17NO/c17-11-5-4-8-15-10-9-14(12-16-15)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2
InChIKeyXYUMCXNQJGWLKD-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.06
Rot. Bonds5

About 4-(5-phenyl-2-pyridinyl)butan-1-ol

4-(5-phenyl-2-pyridinyl)butan-1-ol (PubChem CID 12051004) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(5-phenyl-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-(5-phenyl-2-pyridinyl)butan-1-ol
PubChem CID12051004
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(5-phenyl-2-pyridinyl)butan-1-ol
SMILESOCCCCc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C15H17NO/c17-11-5-4-8-15-10-9-14(12-16-15)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2
InChIKeyXYUMCXNQJGWLKD-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-2-pyridinyl)butan-1-ol?
The IUPAC name of 4-(5-phenyl-2-pyridinyl)butan-1-ol (CID 12051004) is 4-(5-phenyl-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-(5-phenyl-2-pyridinyl)butan-1-ol?
The canonical SMILES for 4-(5-phenyl-2-pyridinyl)butan-1-ol is OCCCCc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 4-(5-phenyl-2-pyridinyl)butan-1-ol?
The InChIKey is XYUMCXNQJGWLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-11-5-4-8-15-10-9-14(12-16-15)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2.
What are the key properties of 4-(5-phenyl-2-pyridinyl)butan-1-ol?
4-(5-phenyl-2-pyridinyl)butan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 12051004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).