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

C16H15NO3 — CID 114744280

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc3c2OCC3)cn1
InChIInChI=1S/C16H15NO3/c1-19-15-6-5-11(10-17-15)9-14(18)13-4-2-3-12-7-8-20-16(12)13/h2-6,10H,7-9H2,1H3
InChIKeyVCNHUBPRQSHNQG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.45
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone (PubChem CID 114744280) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
PubChem CID114744280
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2cccc3c2OCC3)cn1
InChIInChI=1S/C16H15NO3/c1-19-15-6-5-11(10-17-15)9-14(18)13-4-2-3-12-7-8-20-16(12)13/h2-6,10H,7-9H2,1H3
InChIKeyVCNHUBPRQSHNQG-UHFFFAOYSA-N
XLogP2.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114744076
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-methoxyphenyl)ethanone
CID 104544556
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone (CID 114744280) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone is COc1ccc(CC(=O)c2cccc3c2OCC3)cn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
The InChIKey is VCNHUBPRQSHNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-15-6-5-11(10-17-15)9-14(18)13-4-2-3-12-7-8-20-16(12)13/h2-6,10H,7-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 114744280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).