1-(6-tert-butyl-3-pyridinyl)ethanol

C11H17NO — CID 59134647

IUPAC1-(6-tert-butyl-3-pyridinyl)ethanol
SMILESCC(O)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C11H17NO/c1-8(13)9-5-6-10(12-7-9)11(2,3)4/h5-8,13H,1-4H3
InChIKeySKCZVNAGDIRGLM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.43
Rot. Bonds1

About 1-(6-tert-butyl-3-pyridinyl)ethanol

1-(6-tert-butyl-3-pyridinyl)ethanol (PubChem CID 59134647) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(6-tert-butyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-tert-butyl-3-pyridinyl)ethanol
PubChem CID59134647
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(6-tert-butyl-3-pyridinyl)ethanol
SMILESCC(O)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C11H17NO/c1-8(13)9-5-6-10(12-7-9)11(2,3)4/h5-8,13H,1-4H3
InChIKeySKCZVNAGDIRGLM-UHFFFAOYSA-N
XLogP2.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-3-pyridinyl)ethanol?
The IUPAC name of 1-(6-tert-butyl-3-pyridinyl)ethanol (CID 59134647) is 1-(6-tert-butyl-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-tert-butyl-3-pyridinyl)ethanol?
The canonical SMILES for 1-(6-tert-butyl-3-pyridinyl)ethanol is CC(O)c1ccc(C(C)(C)C)nc1.
What is the InChIKey of 1-(6-tert-butyl-3-pyridinyl)ethanol?
The InChIKey is SKCZVNAGDIRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(13)9-5-6-10(12-7-9)11(2,3)4/h5-8,13H,1-4H3.
What are the key properties of 1-(6-tert-butyl-3-pyridinyl)ethanol?
1-(6-tert-butyl-3-pyridinyl)ethanol has a molecular weight of 179.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-3-pyridinyl)ethanol is sourced from PubChem (CID 59134647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).