2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid

C21H11NO5 — CID 3756926

IUPAC2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O
InChIInChI=1S/C21H11NO5/c23-19-15-7-5-11(21(25)26)9-16(15)20(24)22(19)12-6-8-14-13-3-1-2-4-17(13)27-18(14)10-12/h1-10H,(H,25,26)
InChIKeyOGKFRFYLEWZMSJ-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.08
Rot. Bonds2

About 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid

2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 3756926) has the molecular formula C21H11NO5 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID3756926
Molecular FormulaC21H11NO5
Molecular Weight357.32 g/mol
Exact Mass357.06
IUPAC Name2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O
InChIInChI=1S/C21H11NO5/c23-19-15-7-5-11(21(25)26)9-16(15)20(24)22(19)12-6-8-14-13-3-1-2-4-17(13)27-18(14)10-12/h1-10H,(H,25,26)
InChIKeyOGKFRFYLEWZMSJ-UHFFFAOYSA-N
XLogP4.08
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid (CID 3756926) is 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O.
What is the InChIKey of 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is OGKFRFYLEWZMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11NO5/c23-19-15-7-5-11(21(25)26)9-16(15)20(24)22(19)12-6-8-14-13-3-1-2-4-17(13)27-18(14)10-12/h1-10H,(H,25,26).
What are the key properties of 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid?
2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 357.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 3756926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).