1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone

C16H17NO2 — CID 82453012

IUPAC1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
SMILESCCOc1cccc(-c2ccc(C(C)=O)c(C)n2)c1
InChIInChI=1S/C16H17NO2/c1-4-19-14-7-5-6-13(10-14)16-9-8-15(12(3)18)11(2)17-16/h5-10H,4H2,1-3H3
InChIKeyFSPKRMUTNWKIPG-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.66
Rot. Bonds4

About 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone

1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone (PubChem CID 82453012) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
PubChem CID82453012
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
SMILESCCOc1cccc(-c2ccc(C(C)=O)c(C)n2)c1
InChIInChI=1S/C16H17NO2/c1-4-19-14-7-5-6-13(10-14)16-9-8-15(12(3)18)11(2)17-16/h5-10H,4H2,1-3H3
InChIKeyFSPKRMUTNWKIPG-UHFFFAOYSA-N
XLogP3.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
CID 82453003
6-(3-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453002
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
CID 82453060
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone (CID 82453012) is 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone is CCOc1cccc(-c2ccc(C(C)=O)c(C)n2)c1.
What is the InChIKey of 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone?
The InChIKey is FSPKRMUTNWKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-4-19-14-7-5-6-13(10-14)16-9-8-15(12(3)18)11(2)17-16/h5-10H,4H2,1-3H3.
What are the key properties of 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone?
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone is sourced from PubChem (CID 82453012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).