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

C16H13NO3 — CID 114725771

IUPAC1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C16H13NO3/c1-19-16-7-6-11(10-17-16)8-13(18)15-9-12-4-2-3-5-14(12)20-15/h2-7,9-10H,8H2,1H3
InChIKeyKKPDEJANYZCOGV-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.26
Rot. Bonds4

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

1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone (PubChem CID 114725771) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
PubChem CID114725771
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C16H13NO3/c1-19-16-7-6-11(10-17-16)8-13(18)15-9-12-4-2-3-5-14(12)20-15/h2-7,9-10H,8H2,1H3
InChIKeyKKPDEJANYZCOGV-UHFFFAOYSA-N
XLogP3.26
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-yl)-2-(6-methoxy-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

2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725776
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
CID 55083649
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548832
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone (CID 114725771) is 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone is COc1ccc(CC(=O)c2cc3ccccc3o2)cn1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
The InChIKey is KKPDEJANYZCOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-16-7-6-11(10-17-16)8-13(18)15-9-12-4-2-3-5-14(12)20-15/h2-7,9-10H,8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone has a molecular weight of 267.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 114725771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).