dibenzofuran-1,3,7,9-tetrone

C12H6O5 — CID 171478269

IUPACdibenzofuran-1,3,7,9-tetrone
SMILESO=C1C=c2oc3c(c2C(=O)C1)C(=O)CC(=O)C=3
InChIInChI=1S/C12H6O5/c13-5-1-7(15)11-9(3-5)17-10-4-6(14)2-8(16)12(10)11/h3-4H,1-2H2
InChIKeyWQOZXJAMNNIXRF-UHFFFAOYSA-N
MW230.17 g/mol
LogP-0.85
Rot. Bonds

About dibenzofuran-1,3,7,9-tetrone

dibenzofuran-1,3,7,9-tetrone (PubChem CID 171478269) has the molecular formula C12H6O5 and a molecular weight of 230.17 g/mol. Its IUPAC name is dibenzofuran-1,3,7,9-tetrone.

Molecular Properties

Compound Namedibenzofuran-1,3,7,9-tetrone
PubChem CID171478269
Molecular FormulaC12H6O5
Molecular Weight230.17 g/mol
Exact Mass230.02
IUPAC Namedibenzofuran-1,3,7,9-tetrone
SMILESO=C1C=c2oc3c(c2C(=O)C1)C(=O)CC(=O)C=3
InChIInChI=1S/C12H6O5/c13-5-1-7(15)11-9(3-5)17-10-4-6(14)2-8(16)12(10)11/h3-4H,1-2H2
InChIKeyWQOZXJAMNNIXRF-UHFFFAOYSA-N
XLogP-0.85
TPSA81.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-1,3,7,9-tetrone?
The IUPAC name of dibenzofuran-1,3,7,9-tetrone (CID 171478269) is dibenzofuran-1,3,7,9-tetrone.
What is the SMILES notation for dibenzofuran-1,3,7,9-tetrone?
The canonical SMILES for dibenzofuran-1,3,7,9-tetrone is O=C1C=c2oc3c(c2C(=O)C1)C(=O)CC(=O)C=3.
What is the InChIKey of dibenzofuran-1,3,7,9-tetrone?
The InChIKey is WQOZXJAMNNIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O5/c13-5-1-7(15)11-9(3-5)17-10-4-6(14)2-8(16)12(10)11/h3-4H,1-2H2.
What are the key properties of dibenzofuran-1,3,7,9-tetrone?
dibenzofuran-1,3,7,9-tetrone has a molecular weight of 230.17 g/mol, XLogP of -0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-1,3,7,9-tetrone is sourced from PubChem (CID 171478269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).