2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

C12H8O3 — CID 599130

IUPAC2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESO=C1C(=O)c2ccccc2C2=C1CCO2
InChIInChI=1S/C12H8O3/c13-10-7-3-1-2-4-8(7)12-9(11(10)14)5-6-15-12/h1-4H,5-6H2
InChIKeySNMIGXQJBKAGDD-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.58
Rot. Bonds

About 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (PubChem CID 599130) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
PubChem CID599130
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESO=C1C(=O)c2ccccc2C2=C1CCO2
InChIInChI=1S/C12H8O3/c13-10-7-3-1-2-4-8(7)12-9(11(10)14)5-6-15-12/h1-4H,5-6H2
InChIKeySNMIGXQJBKAGDD-UHFFFAOYSA-N
XLogP1.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.58
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 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (CID 599130) is 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is O=C1C(=O)c2ccccc2C2=C1CCO2.
What is the InChIKey of 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The InChIKey is SNMIGXQJBKAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-10-7-3-1-2-4-8(7)12-9(11(10)14)5-6-15-12/h1-4H,5-6H2.
What are the key properties of 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
2,3-dihydrobenzo[g][1]benzofuran-4,5-dione has a molecular weight of 200.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 599130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).