5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione

C24H10O8 — CID 3089393

IUPAC5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)OC(=O)c4ccccc43)ccc21
InChIInChI=1S/C24H10O8/c25-19-13-7-5-11(9-16(13)21(27)30-19)24(18-4-2-1-3-15(18)23(29)32-24)12-6-8-14-17(10-12)22(28)31-20(14)26/h1-10H
InChIKeyAMVDILNJGDGKFU-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.77
Rot. Bonds2

About 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione

5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione (PubChem CID 3089393) has the molecular formula C24H10O8 and a molecular weight of 426.34 g/mol. Its IUPAC name is 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione
PubChem CID3089393
Molecular FormulaC24H10O8
Molecular Weight426.34 g/mol
Exact Mass426.04
IUPAC Name5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)OC(=O)c4ccccc43)ccc21
InChIInChI=1S/C24H10O8/c25-19-13-7-5-11(9-16(13)21(27)30-19)24(18-4-2-1-3-15(18)23(29)32-24)12-6-8-14-17(10-12)22(28)31-20(14)26/h1-10H
InChIKeyAMVDILNJGDGKFU-UHFFFAOYSA-N
XLogP2.77
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione (CID 3089393) is 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)OC(=O)c4ccccc43)ccc21.
What is the InChIKey of 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione?
The InChIKey is AMVDILNJGDGKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10O8/c25-19-13-7-5-11(9-16(13)21(27)30-19)24(18-4-2-1-3-15(18)23(29)32-24)12-6-8-14-17(10-12)22(28)31-20(14)26/h1-10H.
What are the key properties of 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione?
5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione has a molecular weight of 426.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dioxo-2-benzofuran-5-yl)-3-oxo-2-benzofuran-1-yl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 3089393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).