1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one

C17H15NO2 — CID 66469828

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one
SMILESCc1ccc2oc(C(=O)C(C)c3ccncc3)cc2c1
InChIInChI=1S/C17H15NO2/c1-11-3-4-15-14(9-11)10-16(20-15)17(19)12(2)13-5-7-18-8-6-13/h3-10,12H,1-2H3
InChIKeyOOUZZMRISSRUME-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.12
Rot. Bonds3

About 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one

1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66469828) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one
PubChem CID66469828
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one
SMILESCc1ccc2oc(C(=O)C(C)c3ccncc3)cc2c1
InChIInChI=1S/C17H15NO2/c1-11-3-4-15-14(9-11)10-16(20-15)17(19)12(2)13-5-7-18-8-6-13/h3-10,12H,1-2H3
InChIKeyOOUZZMRISSRUME-UHFFFAOYSA-N
XLogP4.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one
CID 66470642
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 55012612
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114737355
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one (CID 66469828) is 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one is Cc1ccc2oc(C(=O)C(C)c3ccncc3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is OOUZZMRISSRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-3-4-15-14(9-11)10-16(20-15)17(19)12(2)13-5-7-18-8-6-13/h3-10,12H,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one?
1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 265.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66469828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).