1-(4-phenoxyphenyl)pyrrole-2,5-dione

C16H11NO3 — CID 555841

IUPAC1-(4-phenoxyphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H11NO3/c18-15-10-11-16(19)17(15)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H
InChIKeyVAYJAEOCYWSGBB-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-phenoxyphenyl)pyrrole-2,5-dione

1-(4-phenoxyphenyl)pyrrole-2,5-dione (PubChem CID 555841) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)pyrrole-2,5-dione
PubChem CID555841
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name1-(4-phenoxyphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H11NO3/c18-15-10-11-16(19)17(15)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H
InChIKeyVAYJAEOCYWSGBB-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-phenoxyphenyl)pyrrole-2,5-dione (CID 555841) is 1-(4-phenoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-phenoxyphenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)pyrrole-2,5-dione?
The InChIKey is VAYJAEOCYWSGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15-10-11-16(19)17(15)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H.
What are the key properties of 1-(4-phenoxyphenyl)pyrrole-2,5-dione?
1-(4-phenoxyphenyl)pyrrole-2,5-dione has a molecular weight of 265.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 555841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).