1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one

C15H15NO — CID 115375052

IUPAC1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cncc(C)c2)cc1
InChIInChI=1S/C15H15NO/c1-3-15(17)13-6-4-12(5-7-13)14-8-11(2)9-16-10-14/h4-10H,3H2,1-2H3
InChIKeyDWCNLEVIKCLCSX-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.65
Rot. Bonds3

About 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one

1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one (PubChem CID 115375052) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one
PubChem CID115375052
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cncc(C)c2)cc1
InChIInChI=1S/C15H15NO/c1-3-15(17)13-6-4-12(5-7-13)14-8-11(2)9-16-10-14/h4-10H,3H2,1-2H3
InChIKeyDWCNLEVIKCLCSX-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[4-(5-methyl-3-pyridinyl)phenyl]acetamide
CID 72857576
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
3-methyl-5-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 143453970
3-methyl-5-(4-methylsulfinylphenyl)pyridine
CID 91212115
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
CID 167879093
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
CID 174654711
1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one
CID 82541838

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one (CID 115375052) is 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2cncc(C)c2)cc1.
What is the InChIKey of 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one?
The InChIKey is DWCNLEVIKCLCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-15(17)13-6-4-12(5-7-13)14-8-11(2)9-16-10-14/h4-10H,3H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one?
1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-3-pyridinyl)phenyl]propan-1-one is sourced from PubChem (CID 115375052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).