1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one

C17H19NO2 — CID 106681967

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)CCc1ccncc1
InChIInChI=1S/C17H19NO2/c1-12-10-13(2)17(16(11-12)20-3)15(19)5-4-14-6-8-18-9-7-14/h6-11H,4-5H2,1-3H3
InChIKeyWOTLPIJSXOOOII-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one

1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one (PubChem CID 106681967) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
PubChem CID106681967
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)CCc1ccncc1
InChIInChI=1S/C17H19NO2/c1-12-10-13(2)17(16(11-12)20-3)15(19)5-4-14-6-8-18-9-7-14/h6-11H,4-5H2,1-3H3
InChIKeyWOTLPIJSXOOOII-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
CID 116832844
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
CID 10684981
2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759535
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 105085803
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one (CID 106681967) is 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one is COc1cc(C)cc(C)c1C(=O)CCc1ccncc1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is WOTLPIJSXOOOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-10-13(2)17(16(11-12)20-3)15(19)5-4-14-6-8-18-9-7-14/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one?
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 106681967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).