5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione

C17H6O7 — CID 71308882

IUPAC5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc([13C](=O)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H/i13+1
InChIKeyVQVIHDPBMFABCQ-KCKQSJSWSA-N
MW323.22 g/mol
LogP1.54
Rot. Bonds2

About 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione (PubChem CID 71308882) has the molecular formula C17H6O7 and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
PubChem CID71308882
Molecular FormulaC17H6O7
Molecular Weight323.22 g/mol
Exact Mass323.01
IUPAC Name5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc([13C](=O)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H/i13+1
InChIKeyVQVIHDPBMFABCQ-KCKQSJSWSA-N
XLogP1.54
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione (CID 71308882) is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc([13C](=O)c3ccc4c(c3)C(=O)OC4=O)ccc21.
What is the InChIKey of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione?
The InChIKey is VQVIHDPBMFABCQ-KCKQSJSWSA-N. The full InChI is InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H/i13+1.
What are the key properties of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione?
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione has a molecular weight of 323.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione is sourced from PubChem (CID 71308882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).