2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone

C16H17NO2 — CID 105085291

IUPAC2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1cncc(C)c1
InChIInChI=1S/C16H17NO2/c1-11-4-5-16(19-3)13(6-11)8-15(18)14-7-12(2)9-17-10-14/h4-7,9-10H,8H2,1-3H3
InChIKeyMEGJNGPJKKNLSO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone

2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 105085291) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID105085291
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1cncc(C)c1
InChIInChI=1S/C16H17NO2/c1-11-4-5-16(19-3)13(6-11)8-15(18)14-7-12(2)9-17-10-14/h4-7,9-10H,8H2,1-3H3
InChIKeyMEGJNGPJKKNLSO-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone 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-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 105085227
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116613084
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone (CID 105085291) is 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone is COc1ccc(C)cc1CC(=O)c1cncc(C)c1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is MEGJNGPJKKNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-5-16(19-3)13(6-11)8-15(18)14-7-12(2)9-17-10-14/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone?
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105085291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).