1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone

C17H15NO2 — CID 66448685

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc3cc(C)ccc3o2)nc1
InChIInChI=1S/C17H15NO2/c1-11-4-6-16-13(7-11)8-17(20-16)15(19)9-14-5-3-12(2)10-18-14/h3-8,10H,9H2,1-2H3
InChIKeyOALXNGVYFAQTCF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.87
Rot. Bonds3

About 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone

1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 66448685) 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-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID66448685
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc3cc(C)ccc3o2)nc1
InChIInChI=1S/C17H15NO2/c1-11-4-6-16-13(7-11)8-17(20-16)15(19)9-14-5-3-12(2)10-18-14/h3-8,10H,9H2,1-2H3
InChIKeyOALXNGVYFAQTCF-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105128836
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105111398
2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105092387
2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105102492
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114737355
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081
3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propan-1-one
CID 105131900
(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725833

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone (CID 66448685) is 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc3cc(C)ccc3o2)nc1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is OALXNGVYFAQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-4-6-16-13(7-11)8-17(20-16)15(19)9-14-5-3-12(2)10-18-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone?
1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.87, 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-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66448685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).