4,5-diphenoxyisoindole-1,3-dione

C20H13NO4 — CID 175449516

IUPAC4,5-diphenoxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc(Oc1ccccc1)c2Oc1ccccc1
InChIInChI=1S/C20H13NO4/c22-19-15-11-12-16(24-13-7-3-1-4-8-13)18(17(15)20(23)21-19)25-14-9-5-2-6-10-14/h1-12H,(H,21,22,23)
InChIKeyFNKBEDRXGGHBKG-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.15
Rot. Bonds4

About 4,5-diphenoxyisoindole-1,3-dione

4,5-diphenoxyisoindole-1,3-dione (PubChem CID 175449516) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4,5-diphenoxyisoindole-1,3-dione.

Molecular Properties

Compound Name4,5-diphenoxyisoindole-1,3-dione
PubChem CID175449516
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC Name4,5-diphenoxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc(Oc1ccccc1)c2Oc1ccccc1
InChIInChI=1S/C20H13NO4/c22-19-15-11-12-16(24-13-7-3-1-4-8-13)18(17(15)20(23)21-19)25-14-9-5-2-6-10-14/h1-12H,(H,21,22,23)
InChIKeyFNKBEDRXGGHBKG-UHFFFAOYSA-N
XLogP4.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.15
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 4,5-diphenoxyisoindole-1,3-dione?
The IUPAC name of 4,5-diphenoxyisoindole-1,3-dione (CID 175449516) is 4,5-diphenoxyisoindole-1,3-dione.
What is the SMILES notation for 4,5-diphenoxyisoindole-1,3-dione?
The canonical SMILES for 4,5-diphenoxyisoindole-1,3-dione is O=C1NC(=O)c2c1ccc(Oc1ccccc1)c2Oc1ccccc1.
What is the InChIKey of 4,5-diphenoxyisoindole-1,3-dione?
The InChIKey is FNKBEDRXGGHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-19-15-11-12-16(24-13-7-3-1-4-8-13)18(17(15)20(23)21-19)25-14-9-5-2-6-10-14/h1-12H,(H,21,22,23).
What are the key properties of 4,5-diphenoxyisoindole-1,3-dione?
4,5-diphenoxyisoindole-1,3-dione has a molecular weight of 331.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenoxyisoindole-1,3-dione is sourced from PubChem (CID 175449516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).