1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one

C15H15NO2 — CID 115373880

IUPAC1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
SMILESCc1cncc(C(=O)CCOc2ccccc2)c1
InChIInChI=1S/C15H15NO2/c1-12-9-13(11-16-10-12)15(17)7-8-18-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3
InChIKeyRVUJUHCMCRZTEH-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.04
Rot. Bonds5

About 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one

1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one (PubChem CID 115373880) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
PubChem CID115373880
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
SMILESCc1cncc(C(=O)CCOc2ccccc2)c1
InChIInChI=1S/C15H15NO2/c1-12-9-13(11-16-10-12)15(17)7-8-18-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3
InChIKeyRVUJUHCMCRZTEH-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
4-(5-methyl-3-pyridinyl)-4-oxobutanenitrile
CID 20522392
2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373951
3-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-one
CID 70414079
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one (CID 115373880) is 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one is Cc1cncc(C(=O)CCOc2ccccc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one?
The InChIKey is RVUJUHCMCRZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12-9-13(11-16-10-12)15(17)7-8-18-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one?
1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one has a molecular weight of 241.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one is sourced from PubChem (CID 115373880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).