2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

C17H15NO3 — CID 114725776

IUPAC2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCOc1ccc(CC(=O)c2cc3cccc(C)c3o2)cn1
InChIInChI=1S/C17H15NO3/c1-11-4-3-5-13-9-15(21-17(11)13)14(19)8-12-6-7-16(20-2)18-10-12/h3-7,9-10H,8H2,1-2H3
InChIKeyUHZRSQBHELKPEZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.57
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 114725776) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID114725776
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCOc1ccc(CC(=O)c2cc3cccc(C)c3o2)cn1
InChIInChI=1S/C17H15NO3/c1-11-4-3-5-13-9-15(21-17(11)13)14(19)8-12-6-7-16(20-2)18-10-12/h3-7,9-10H,8H2,1-2H3
InChIKeyUHZRSQBHELKPEZ-UHFFFAOYSA-N
XLogP3.57
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 106680034
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105132029
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 105132020
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 114725776) is 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is COc1ccc(CC(=O)c2cc3cccc(C)c3o2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is UHZRSQBHELKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-4-3-5-13-9-15(21-17(11)13)14(19)8-12-6-7-16(20-2)18-10-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 281.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114725776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).