2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone

C19H23NO — CID 60924746

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)c1cccnc1
InChIInChI=1S/C19H23NO/c1-13-9-16(19(3,4)5)10-14(2)17(13)11-18(21)15-7-6-8-20-12-15/h6-10,12H,11H2,1-5H3
InChIKeyRGCDLXFUSORMBS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone

2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone (PubChem CID 60924746) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
PubChem CID60924746
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)c1cccnc1
InChIInChI=1S/C19H23NO/c1-13-9-16(19(3,4)5)10-14(2)17(13)11-18(21)15-7-6-8-20-12-15/h6-10,12H,11H2,1-5H3
InChIKeyRGCDLXFUSORMBS-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylphenyl)-1-pyridin-3-ylethanone;4-tert-butylpyridine
CID 161209218
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186
2-tert-butylsulfanyl-1-pyridin-3-ylethanone
CID 65133934
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103130364
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine
CID 87864246
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone (CID 60924746) is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone is Cc1cc(C(C)(C)C)cc(C)c1CC(=O)c1cccnc1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone?
The InChIKey is RGCDLXFUSORMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-9-16(19(3,4)5)10-14(2)17(13)11-18(21)15-7-6-8-20-12-15/h6-10,12H,11H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone?
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone has a molecular weight of 281.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 60924746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).