2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone

C16H17NO — CID 105083488

IUPAC2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cccnc2C)cc1C
InChIInChI=1S/C16H17NO/c1-11-6-7-14(9-12(11)2)10-16(18)15-5-4-8-17-13(15)3/h4-9H,10H2,1-3H3
InChIKeyIGPLXXOPZAKEIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.43
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone

2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone (PubChem CID 105083488) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
PubChem CID105083488
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cccnc2C)cc1C
InChIInChI=1S/C16H17NO/c1-11-6-7-14(9-12(11)2)10-16(18)15-5-4-8-17-13(15)3/h4-9H,10H2,1-3H3
InChIKeyIGPLXXOPZAKEIV-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 116604407
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105089353
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone (CID 105083488) is 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cccnc2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is IGPLXXOPZAKEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-7-14(9-12(11)2)10-16(18)15-5-4-8-17-13(15)3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone?
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105083488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).