6H-1-benzofuran-3,5-dione

C8H6O3 — CID 22056793

IUPAC6H-1-benzofuran-3,5-dione
SMILESO=C1C=C2C(=O)COC2=CC1
InChIInChI=1S/C8H6O3/c9-5-1-2-8-6(3-5)7(10)4-11-8/h2-3H,1,4H2
InChIKeyJHBZBRRRGGLNOU-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.37
Rot. Bonds

About 6H-1-benzofuran-3,5-dione

6H-1-benzofuran-3,5-dione (PubChem CID 22056793) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 6H-1-benzofuran-3,5-dione.

Molecular Properties

Compound Name6H-1-benzofuran-3,5-dione
PubChem CID22056793
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name6H-1-benzofuran-3,5-dione
SMILESO=C1C=C2C(=O)COC2=CC1
InChIInChI=1S/C8H6O3/c9-5-1-2-8-6(3-5)7(10)4-11-8/h2-3H,1,4H2
InChIKeyJHBZBRRRGGLNOU-UHFFFAOYSA-N
XLogP0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-1-benzofuran-3,5-dione?
The IUPAC name of 6H-1-benzofuran-3,5-dione (CID 22056793) is 6H-1-benzofuran-3,5-dione.
What is the SMILES notation for 6H-1-benzofuran-3,5-dione?
The canonical SMILES for 6H-1-benzofuran-3,5-dione is O=C1C=C2C(=O)COC2=CC1.
What is the InChIKey of 6H-1-benzofuran-3,5-dione?
The InChIKey is JHBZBRRRGGLNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-5-1-2-8-6(3-5)7(10)4-11-8/h2-3H,1,4H2.
What are the key properties of 6H-1-benzofuran-3,5-dione?
6H-1-benzofuran-3,5-dione has a molecular weight of 150.13 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-1-benzofuran-3,5-dione is sourced from PubChem (CID 22056793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).