1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone

C17H19NO — CID 55221684

IUPAC1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H19NO/c1-12(2)15-9-7-14(8-10-15)11-17(19)16-6-4-5-13(3)18-16/h4-10,12H,11H2,1-3H3
InChIKeyKLOVWIOUCHJLHY-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.94
Rot. Bonds4

About 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone

1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 55221684) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID55221684
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H19NO/c1-12(2)15-9-7-14(8-10-15)11-17(19)16-6-4-5-13(3)18-16/h4-10,12H,11H2,1-3H3
InChIKeyKLOVWIOUCHJLHY-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63554876
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 103373181
2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63553614
2-(2,5-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 65321217
2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63556118
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79701083
1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63554522
6-methylpyridine-2-carbonyl iodide
CID 154552361
1-(6-methyl-2-pyridinyl)-2-pyrazolo[1,5-a]pyridin-5-ylethanone
CID 154605174

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone (CID 55221684) is 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone is Cc1cccc(C(=O)Cc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is KLOVWIOUCHJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(2)15-9-7-14(8-10-15)11-17(19)16-6-4-5-13(3)18-16/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 55221684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).