4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one

C16H11NO4 — CID 2357762

IUPAC4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11NO4/c18-16-15(12-8-4-5-9-14(12)17(19)20)13(10-21-16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyMEUNBHFVIAGGMJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.06
Rot. Bonds3

About 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one

4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one (PubChem CID 2357762) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one
PubChem CID2357762
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11NO4/c18-16-15(12-8-4-5-9-14(12)17(19)20)13(10-21-16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyMEUNBHFVIAGGMJ-UHFFFAOYSA-N
XLogP3.06
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one?
The IUPAC name of 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one (CID 2357762) is 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one?
The canonical SMILES for 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one is O=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one?
The InChIKey is MEUNBHFVIAGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-16-15(12-8-4-5-9-14(12)17(19)20)13(10-21-16)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one?
4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one has a molecular weight of 281.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 2357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).