4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone

C14H6O6 — CID 89362654

IUPAC4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone
SMILESO=C1OC(=O)C2=C1Cc1cc3c(cc1C2)C(=O)OC3=O
InChIInChI=1S/C14H6O6/c15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11/h1,3H,2,4H2
InChIKeyYYUCICQYILYZJD-UHFFFAOYSA-N
MW270.20 g/mol
LogP0.48
Rot. Bonds

About 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone

4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone (PubChem CID 89362654) has the molecular formula C14H6O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone.

Molecular Properties

Compound Name4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone
PubChem CID89362654
Molecular FormulaC14H6O6
Molecular Weight270.20 g/mol
Exact Mass270.02
IUPAC Name4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone
SMILESO=C1OC(=O)C2=C1Cc1cc3c(cc1C2)C(=O)OC3=O
InChIInChI=1S/C14H6O6/c15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11/h1,3H,2,4H2
InChIKeyYYUCICQYILYZJD-UHFFFAOYSA-N
XLogP0.48
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 50.48
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 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone?
The IUPAC name of 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone (CID 89362654) is 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone.
What is the SMILES notation for 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone?
The canonical SMILES for 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone is O=C1OC(=O)C2=C1Cc1cc3c(cc1C2)C(=O)OC3=O.
What is the InChIKey of 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone?
The InChIKey is YYUCICQYILYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6O6/c15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11/h1,3H,2,4H2.
What are the key properties of 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone?
4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone has a molecular weight of 270.20 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dihydro-[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone is sourced from PubChem (CID 89362654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).