2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone

C15H15NO — CID 22993741

IUPAC2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
SMILESCc1cc(C)cc(CC(=O)c2ccncc2)c1
InChIInChI=1S/C15H15NO/c1-11-7-12(2)9-13(8-11)10-15(17)14-3-5-16-6-4-14/h3-9H,10H2,1-2H3
InChIKeyPVUGQAQATBRFRA-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone

2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone (PubChem CID 22993741) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
PubChem CID22993741
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
SMILESCc1cc(C)cc(CC(=O)c2ccncc2)c1
InChIInChI=1S/C15H15NO/c1-11-7-12(2)9-13(8-11)10-15(17)14-3-5-16-6-4-14/h3-9H,10H2,1-2H3
InChIKeyPVUGQAQATBRFRA-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.12
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-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethanone
CID 63989758
2-(4-aminophenyl)-1-pyridin-4-ylethanone
CID 154541759
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
CID 62813173
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
CID 114963222
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone (CID 22993741) is 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone is Cc1cc(C)cc(CC(=O)c2ccncc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone?
The InChIKey is PVUGQAQATBRFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-7-12(2)9-13(8-11)10-15(17)14-3-5-16-6-4-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone?
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone has a molecular weight of 225.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 22993741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).