1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one

C17H19NO — CID 105133909

IUPAC1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
SMILESCCCc1cccc(C(=O)CCc2ccncc2)c1
InChIInChI=1S/C17H19NO/c1-2-4-15-5-3-6-16(13-15)17(19)8-7-14-9-11-18-12-10-14/h3,5-6,9-13H,2,4,7-8H2,1H3
InChIKeyZLNJPEJBAGYNEM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.85
Rot. Bonds6

About 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one

1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one (PubChem CID 105133909) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
PubChem CID105133909
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
SMILESCCCc1cccc(C(=O)CCc2ccncc2)c1
InChIInChI=1S/C17H19NO/c1-2-4-15-5-3-6-16(13-15)17(19)8-7-14-9-11-18-12-10-14/h3,5-6,9-13H,2,4,7-8H2,1H3
InChIKeyZLNJPEJBAGYNEM-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-propylphenyl)heptan-1-one
CID 115812204
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
3-(2,2-difluoroethoxy)-1-(3-propylphenyl)propan-1-one
CID 103147225
3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
CID 105085399
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one (CID 105133909) is 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one is CCCc1cccc(C(=O)CCc2ccncc2)c1.
What is the InChIKey of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is ZLNJPEJBAGYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-4-15-5-3-6-16(13-15)17(19)8-7-14-9-11-18-12-10-14/h3,5-6,9-13H,2,4,7-8H2,1H3.
What are the key properties of 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one?
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 253.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 105133909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).