2-[2-(1-methoxybutyl)phenyl]pyridine

C16H19NO — CID 138475657

IUPAC2-[2-(1-methoxybutyl)phenyl]pyridine
SMILESCCCC(OC)c1ccccc1-c1ccccn1
InChIInChI=1S/C16H19NO/c1-3-8-16(18-2)14-10-5-4-9-13(14)15-11-6-7-12-17-15/h4-7,9-12,16H,3,8H2,1-2H3
InChIKeyGYMIOGDMZSKUBJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.24
Rot. Bonds5

About 2-[2-(1-methoxybutyl)phenyl]pyridine

2-[2-(1-methoxybutyl)phenyl]pyridine (PubChem CID 138475657) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(1-methoxybutyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-(1-methoxybutyl)phenyl]pyridine
PubChem CID138475657
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[2-(1-methoxybutyl)phenyl]pyridine
SMILESCCCC(OC)c1ccccc1-c1ccccn1
InChIInChI=1S/C16H19NO/c1-3-8-16(18-2)14-10-5-4-9-13(14)15-11-6-7-12-17-15/h4-7,9-12,16H,3,8H2,1-2H3
InChIKeyGYMIOGDMZSKUBJ-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxybutyl)phenyl]pyridine?
The IUPAC name of 2-[2-(1-methoxybutyl)phenyl]pyridine (CID 138475657) is 2-[2-(1-methoxybutyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-(1-methoxybutyl)phenyl]pyridine?
The canonical SMILES for 2-[2-(1-methoxybutyl)phenyl]pyridine is CCCC(OC)c1ccccc1-c1ccccn1.
What is the InChIKey of 2-[2-(1-methoxybutyl)phenyl]pyridine?
The InChIKey is GYMIOGDMZSKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-8-16(18-2)14-10-5-4-9-13(14)15-11-6-7-12-17-15/h4-7,9-12,16H,3,8H2,1-2H3.
What are the key properties of 2-[2-(1-methoxybutyl)phenyl]pyridine?
2-[2-(1-methoxybutyl)phenyl]pyridine has a molecular weight of 241.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxybutyl)phenyl]pyridine is sourced from PubChem (CID 138475657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).