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

C15H15NO — CID 55120466

IUPAC1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccncc2)c(C)c1
InChIInChI=1S/C15H15NO/c1-11-3-4-14(12(2)9-11)15(17)10-13-5-7-16-8-6-13/h3-9H,10H2,1-2H3
InChIKeyLOBJZBIDGRXHSK-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone (PubChem CID 55120466) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
PubChem CID55120466
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccncc2)c(C)c1
InChIInChI=1S/C15H15NO/c1-11-3-4-14(12(2)9-11)15(17)10-13-5-7-16-8-6-13/h3-9H,10H2,1-2H3
InChIKeyLOBJZBIDGRXHSK-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-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
CID 105110455
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769538
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2,4-dimethylphenyl)-2-pyrimidin-4-ylsulfanylethanone
CID 55225547
N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142215
1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone
CID 71262844

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone (CID 55120466) is 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone is Cc1ccc(C(=O)Cc2ccncc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone?
The InChIKey is LOBJZBIDGRXHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-3-4-14(12(2)9-11)15(17)10-13-5-7-16-8-6-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone?
1-(2,4-dimethylphenyl)-2-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 1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 55120466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).