1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone

C16H17NO — CID 155313810

IUPAC1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)cc(C)n2)cc1C
InChIInChI=1S/C16H17NO/c1-10-7-12(3)17-16(8-10)14-5-6-15(13(4)18)11(2)9-14/h5-9H,1-4H3
InChIKeyORYZCSXEPAIVCR-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.88
Rot. Bonds2

About 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone

1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone (PubChem CID 155313810) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone
PubChem CID155313810
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)cc(C)n2)cc1C
InChIInChI=1S/C16H17NO/c1-10-7-12(3)17-16(8-10)14-5-6-15(13(4)18)11(2)9-14/h5-9H,1-4H3
InChIKeyORYZCSXEPAIVCR-UHFFFAOYSA-N
XLogP3.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone (CID 155313810) is 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone is CC(=O)c1ccc(-c2cc(C)cc(C)n2)cc1C.
What is the InChIKey of 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone?
The InChIKey is ORYZCSXEPAIVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-7-12(3)17-16(8-10)14-5-6-15(13(4)18)11(2)9-14/h5-9H,1-4H3.
What are the key properties of 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone?
1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 155313810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).