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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
CID 175876286
CID 175876286
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3,3-bis(4-amino-3,5-dimethylphenyl)-2-benzofuran-1-one
CID 18624417
3,3-bis[4-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]-2-benzofuran-1-one
CID 102434418
3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
CID 138632201
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane;methane;propane
CID 164984013
trisodium;2-oxido-5-[1-(4-oxido-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
CID 102438085
potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
CID 20775252

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).