1-(1-benzofuran-3-yl)ethanone

C10H8O2 — CID 11286612

IUPAC1-(1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1coc2ccccc12
InChIInChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKeyCHGABJRZTFUHDT-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.64
Rot. Bonds1

About 1-(1-benzofuran-3-yl)ethanone

1-(1-benzofuran-3-yl)ethanone (PubChem CID 11286612) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)ethanone
PubChem CID11286612
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name1-(1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1coc2ccccc12
InChIInChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKeyCHGABJRZTFUHDT-UHFFFAOYSA-N
XLogP2.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)ethanone (CID 11286612) is 1-(1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)ethanone is CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)ethanone?
The InChIKey is CHGABJRZTFUHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)ethanone?
1-(1-benzofuran-3-yl)ethanone has a molecular weight of 160.17 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 11286612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).