8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione

C11H6O6 — CID 23247475

IUPAC8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione
SMILESCOc1c2c(cc3c1C(=O)OC3=O)COC2=O
InChIInChI=1S/C11H6O6/c1-15-8-6-4(3-16-10(6)13)2-5-7(8)11(14)17-9(5)12/h2H,3H2,1H3
InChIKeyYUPNBRGUBJVTJD-UHFFFAOYSA-N
MW234.16 g/mol
LogP0.68
Rot. Bonds1

About 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione

8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione (PubChem CID 23247475) has the molecular formula C11H6O6 and a molecular weight of 234.16 g/mol. Its IUPAC name is 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione.

Molecular Properties

Compound Name8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione
PubChem CID23247475
Molecular FormulaC11H6O6
Molecular Weight234.16 g/mol
Exact Mass234.02
IUPAC Name8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione
SMILESCOc1c2c(cc3c1C(=O)OC3=O)COC2=O
InChIInChI=1S/C11H6O6/c1-15-8-6-4(3-16-10(6)13)2-5-7(8)11(14)17-9(5)12/h2H,3H2,1H3
InChIKeyYUPNBRGUBJVTJD-UHFFFAOYSA-N
XLogP0.68
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione?
The IUPAC name of 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione (CID 23247475) is 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione.
What is the SMILES notation for 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione?
The canonical SMILES for 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione is COc1c2c(cc3c1C(=O)OC3=O)COC2=O.
What is the InChIKey of 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione?
The InChIKey is YUPNBRGUBJVTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O6/c1-15-8-6-4(3-16-10(6)13)2-5-7(8)11(14)17-9(5)12/h2H,3H2,1H3.
What are the key properties of 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione?
8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione has a molecular weight of 234.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione is sourced from PubChem (CID 23247475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).