1-(3-propylphenyl)-2-pyridin-2-ylethanone

C16H17NO — CID 116543105

IUPAC1-(3-propylphenyl)-2-pyridin-2-ylethanone
SMILESCCCc1cccc(C(=O)Cc2ccccn2)c1
InChIInChI=1S/C16H17NO/c1-2-6-13-7-5-8-14(11-13)16(18)12-15-9-3-4-10-17-15/h3-5,7-11H,2,6,12H2,1H3
InChIKeyLAXBAPMWJTXDSI-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.46
Rot. Bonds5

About 1-(3-propylphenyl)-2-pyridin-2-ylethanone

1-(3-propylphenyl)-2-pyridin-2-ylethanone (PubChem CID 116543105) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-propylphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-propylphenyl)-2-pyridin-2-ylethanone
PubChem CID116543105
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-propylphenyl)-2-pyridin-2-ylethanone
SMILESCCCc1cccc(C(=O)Cc2ccccn2)c1
InChIInChI=1S/C16H17NO/c1-2-6-13-7-5-8-14(11-13)16(18)12-15-9-3-4-10-17-15/h3-5,7-11H,2,6,12H2,1H3
InChIKeyLAXBAPMWJTXDSI-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105131085
1-(3-propylphenyl)heptan-1-one
CID 115812204
2,4-dioxo-4-[3-(pyridin-2-ylmethyl)phenyl]butanoic acid
CID 22613036
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-propylphenyl)-2-pyridin-2-ylethanone (CID 116543105) is 1-(3-propylphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-propylphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-propylphenyl)-2-pyridin-2-ylethanone is CCCc1cccc(C(=O)Cc2ccccn2)c1.
What is the InChIKey of 1-(3-propylphenyl)-2-pyridin-2-ylethanone?
The InChIKey is LAXBAPMWJTXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-6-13-7-5-8-14(11-13)16(18)12-15-9-3-4-10-17-15/h3-5,7-11H,2,6,12H2,1H3.
What are the key properties of 1-(3-propylphenyl)-2-pyridin-2-ylethanone?
1-(3-propylphenyl)-2-pyridin-2-ylethanone has a molecular weight of 239.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 116543105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).