7-nitro-2-phenyl-1-benzofuran

C14H9NO3 — CID 12064785

IUPAC7-nitro-2-phenyl-1-benzofuran
SMILESO=[N+]([O-])c1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C14H9NO3/c16-15(17)12-8-4-7-11-9-13(18-14(11)12)10-5-2-1-3-6-10/h1-9H
InChIKeySPGKFEFELRYSQG-UHFFFAOYSA-N
MW239.23 g/mol
LogP4.01
Rot. Bonds2

About 7-nitro-2-phenyl-1-benzofuran

7-nitro-2-phenyl-1-benzofuran (PubChem CID 12064785) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 7-nitro-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name7-nitro-2-phenyl-1-benzofuran
PubChem CID12064785
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name7-nitro-2-phenyl-1-benzofuran
SMILESO=[N+]([O-])c1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C14H9NO3/c16-15(17)12-8-4-7-11-9-13(18-14(11)12)10-5-2-1-3-6-10/h1-9H
InChIKeySPGKFEFELRYSQG-UHFFFAOYSA-N
XLogP4.01
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-nitro-2-phenyl-1-benzofuran 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 7-nitro-2-phenyl-1-benzofuran?
The IUPAC name of 7-nitro-2-phenyl-1-benzofuran (CID 12064785) is 7-nitro-2-phenyl-1-benzofuran.
What is the SMILES notation for 7-nitro-2-phenyl-1-benzofuran?
The canonical SMILES for 7-nitro-2-phenyl-1-benzofuran is O=[N+]([O-])c1cccc2cc(-c3ccccc3)oc12.
What is the InChIKey of 7-nitro-2-phenyl-1-benzofuran?
The InChIKey is SPGKFEFELRYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-15(17)12-8-4-7-11-9-13(18-14(11)12)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 7-nitro-2-phenyl-1-benzofuran?
7-nitro-2-phenyl-1-benzofuran has a molecular weight of 239.23 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2-phenyl-1-benzofuran is sourced from PubChem (CID 12064785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).