1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone

C17H19NO — CID 118588185

IUPAC1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H19NO/c1-12(19)15-6-5-7-16(18-15)13-8-10-14(11-9-13)17(2,3)4/h5-11H,1-4H3
InChIKeySDIJZFDKSOZOPC-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.25
Rot. Bonds2

About 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone

1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone (PubChem CID 118588185) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone
PubChem CID118588185
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H19NO/c1-12(19)15-6-5-7-16(18-15)13-8-10-14(11-9-13)17(2,3)4/h5-11H,1-4H3
InChIKeySDIJZFDKSOZOPC-UHFFFAOYSA-N
XLogP4.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone (CID 118588185) is 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone?
The InChIKey is SDIJZFDKSOZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(19)15-6-5-7-16(18-15)13-8-10-14(11-9-13)17(2,3)4/h5-11H,1-4H3.
What are the key properties of 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone?
1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 118588185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).