2-(5-butyl-2-pyridinyl)-5-methylphenol

C16H19NO — CID 652844

IUPAC2-(5-butyl-2-pyridinyl)-5-methylphenol
SMILESCCCCc1ccc(-c2ccc(C)cc2O)nc1
InChIInChI=1S/C16H19NO/c1-3-4-5-13-7-9-15(17-11-13)14-8-6-12(2)10-16(14)18/h6-11,18H,3-5H2,1-2H3
InChIKeyNUSNSUWWFFIXST-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.11
Rot. Bonds4

About 2-(5-butyl-2-pyridinyl)-5-methylphenol

2-(5-butyl-2-pyridinyl)-5-methylphenol (PubChem CID 652844) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(5-butyl-2-pyridinyl)-5-methylphenol.

Molecular Properties

Compound Name2-(5-butyl-2-pyridinyl)-5-methylphenol
PubChem CID652844
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(5-butyl-2-pyridinyl)-5-methylphenol
SMILESCCCCc1ccc(-c2ccc(C)cc2O)nc1
InChIInChI=1S/C16H19NO/c1-3-4-5-13-7-9-15(17-11-13)14-8-6-12(2)10-16(14)18/h6-11,18H,3-5H2,1-2H3
InChIKeyNUSNSUWWFFIXST-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-butyl-2-pyridinyl)-5-methylphenol?
The IUPAC name of 2-(5-butyl-2-pyridinyl)-5-methylphenol (CID 652844) is 2-(5-butyl-2-pyridinyl)-5-methylphenol.
What is the SMILES notation for 2-(5-butyl-2-pyridinyl)-5-methylphenol?
The canonical SMILES for 2-(5-butyl-2-pyridinyl)-5-methylphenol is CCCCc1ccc(-c2ccc(C)cc2O)nc1.
What is the InChIKey of 2-(5-butyl-2-pyridinyl)-5-methylphenol?
The InChIKey is NUSNSUWWFFIXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-4-5-13-7-9-15(17-11-13)14-8-6-12(2)10-16(14)18/h6-11,18H,3-5H2,1-2H3.
What are the key properties of 2-(5-butyl-2-pyridinyl)-5-methylphenol?
2-(5-butyl-2-pyridinyl)-5-methylphenol has a molecular weight of 241.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butyl-2-pyridinyl)-5-methylphenol is sourced from PubChem (CID 652844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).