3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione

C16H11NO3 — CID 54702979

IUPAC3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)=C1O
InChIInChI=1S/C16H11NO3/c18-14-13(15(19)17-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
InChIKeyJOHXXIIKYZCYCN-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.28
Rot. Bonds2

About 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione

3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione (PubChem CID 54702979) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione
PubChem CID54702979
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)=C1O
InChIInChI=1S/C16H11NO3/c18-14-13(15(19)17-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
InChIKeyJOHXXIIKYZCYCN-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
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 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione (CID 54702979) is 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione is O=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)=C1O.
What is the InChIKey of 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione?
The InChIKey is JOHXXIIKYZCYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14-13(15(19)17-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20).
What are the key properties of 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione?
3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione has a molecular weight of 265.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 54702979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).