5-acetyl-1-benzofuran-3-one

C10H8O3 — CID 23008718

IUPAC5-acetyl-1-benzofuran-3-one
SMILESCC(=O)c1ccc2c(c1)C(=O)CO2
InChIInChI=1S/C10H8O3/c1-6(11)7-2-3-10-8(4-7)9(12)5-13-10/h2-4H,5H2,1H3
InChIKeyZTEHPWRCNXSTKG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.46
Rot. Bonds1

About 5-acetyl-1-benzofuran-3-one

5-acetyl-1-benzofuran-3-one (PubChem CID 23008718) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-acetyl-1-benzofuran-3-one.

Molecular Properties

Compound Name5-acetyl-1-benzofuran-3-one
PubChem CID23008718
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name5-acetyl-1-benzofuran-3-one
SMILESCC(=O)c1ccc2c(c1)C(=O)CO2
InChIInChI=1S/C10H8O3/c1-6(11)7-2-3-10-8(4-7)9(12)5-13-10/h2-4H,5H2,1H3
InChIKeyZTEHPWRCNXSTKG-UHFFFAOYSA-N
XLogP1.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzofuran-3-one?
The IUPAC name of 5-acetyl-1-benzofuran-3-one (CID 23008718) is 5-acetyl-1-benzofuran-3-one.
What is the SMILES notation for 5-acetyl-1-benzofuran-3-one?
The canonical SMILES for 5-acetyl-1-benzofuran-3-one is CC(=O)c1ccc2c(c1)C(=O)CO2.
What is the InChIKey of 5-acetyl-1-benzofuran-3-one?
The InChIKey is ZTEHPWRCNXSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-6(11)7-2-3-10-8(4-7)9(12)5-13-10/h2-4H,5H2,1H3.
What are the key properties of 5-acetyl-1-benzofuran-3-one?
5-acetyl-1-benzofuran-3-one has a molecular weight of 176.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzofuran-3-one is sourced from PubChem (CID 23008718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).