benzo[g][1]benzofuran-4,5-dione

C12H6O3 — CID 598522

IUPACbenzo[g][1]benzofuran-4,5-dione
SMILESO=C1C(=O)c2ccoc2-c2ccccc21
InChIInChI=1S/C12H6O3/c13-10-7-3-1-2-4-8(7)12-9(11(10)14)5-6-15-12/h1-6H
InChIKeyHAUHEECDQLXVSA-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.33
Rot. Bonds

About benzo[g][1]benzofuran-4,5-dione

benzo[g][1]benzofuran-4,5-dione (PubChem CID 598522) has the molecular formula C12H6O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is benzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Namebenzo[g][1]benzofuran-4,5-dione
PubChem CID598522
Molecular FormulaC12H6O3
Molecular Weight198.18 g/mol
Exact Mass198.03
IUPAC Namebenzo[g][1]benzofuran-4,5-dione
SMILESO=C1C(=O)c2ccoc2-c2ccccc21
InChIInChI=1S/C12H6O3/c13-10-7-3-1-2-4-8(7)12-9(11(10)14)5-6-15-12/h1-6H
InChIKeyHAUHEECDQLXVSA-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[g][1]benzofuran-4,5-dione?
The IUPAC name of benzo[g][1]benzofuran-4,5-dione (CID 598522) is benzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for benzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for benzo[g][1]benzofuran-4,5-dione is O=C1C(=O)c2ccoc2-c2ccccc21.
What is the InChIKey of benzo[g][1]benzofuran-4,5-dione?
The InChIKey is HAUHEECDQLXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O3/c13-10-7-3-1-2-4-8(7)12-9(11(10)14)5-6-15-12/h1-6H.
What are the key properties of benzo[g][1]benzofuran-4,5-dione?
benzo[g][1]benzofuran-4,5-dione has a molecular weight of 198.18 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 598522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).