ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate

C15H10O5 — CID 58260136

IUPACethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O5/c1-2-19-15(18)11-7-10-12(16)8-5-3-4-6-9(8)13(17)14(10)20-11/h3-7H,2H2,1H3
InChIKeyUACGLPKDURXNGV-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.23
Rot. Bonds2

About ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate

ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate (PubChem CID 58260136) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate
PubChem CID58260136
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Nameethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O5/c1-2-19-15(18)11-7-10-12(16)8-5-3-4-6-9(8)13(17)14(10)20-11/h3-7H,2H2,1H3
InChIKeyUACGLPKDURXNGV-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate?
The IUPAC name of ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate (CID 58260136) is ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate?
The canonical SMILES for ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate is CCOC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate?
The InChIKey is UACGLPKDURXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-2-19-15(18)11-7-10-12(16)8-5-3-4-6-9(8)13(17)14(10)20-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate?
ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,9-dioxobenzo[f][1]benzofuran-2-carboxylate is sourced from PubChem (CID 58260136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).