4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one

C18H21NO — CID 105085803

IUPAC4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CC(=O)CCc2ccncc2)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-10-14(2)18(15(3)11-13)12-17(20)5-4-16-6-8-19-9-7-16/h6-11H,4-5,12H2,1-3H3
InChIKeyIKMZAMPTHFJZMH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.75
Rot. Bonds5

About 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one

4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one (PubChem CID 105085803) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one.

Molecular Properties

Compound Name4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
PubChem CID105085803
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CC(=O)CCc2ccncc2)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-10-14(2)18(15(3)11-13)12-17(20)5-4-16-6-8-19-9-7-16/h6-11H,4-5,12H2,1-3H3
InChIKeyIKMZAMPTHFJZMH-UHFFFAOYSA-N
XLogP3.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-pyridin-4-ylbutan-2-one
CID 105128123
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 106677424
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-(2,4,6-trimethylphenyl)undecan-2-one
CID 114966039
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
4-(4-aminophenyl)-1-(3,5-dimethylphenyl)butan-2-one
CID 116605365
pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid
CID 66996995
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
3-[4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528339
1-(5-chlorothiophen-2-yl)-4-pyridin-4-ylbutan-2-one
CID 105088928

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
The IUPAC name of 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one (CID 105085803) is 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one.
What is the SMILES notation for 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
The canonical SMILES for 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one is Cc1cc(C)c(CC(=O)CCc2ccncc2)c(C)c1.
What is the InChIKey of 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
The InChIKey is IKMZAMPTHFJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-10-14(2)18(15(3)11-13)12-17(20)5-4-16-6-8-19-9-7-16/h6-11H,4-5,12H2,1-3H3.
What are the key properties of 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one is sourced from PubChem (CID 105085803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).