4-dibenzofuran-2-yloxy-3-nitrobenzoic acid

C19H11NO6 — CID 58723403

IUPAC4-dibenzofuran-2-yloxy-3-nitrobenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H11NO6/c21-19(22)11-5-7-18(15(9-11)20(23)24)25-12-6-8-17-14(10-12)13-3-1-2-4-16(13)26-17/h1-10H,(H,21,22)
InChIKeyIXHSRVIXLJVVCW-UHFFFAOYSA-N
MW349.30 g/mol
LogP4.98
Rot. Bonds4

About 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid

4-dibenzofuran-2-yloxy-3-nitrobenzoic acid (PubChem CID 58723403) has the molecular formula C19H11NO6 and a molecular weight of 349.30 g/mol. Its IUPAC name is 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid.

Molecular Properties

Compound Name4-dibenzofuran-2-yloxy-3-nitrobenzoic acid
PubChem CID58723403
Molecular FormulaC19H11NO6
Molecular Weight349.30 g/mol
Exact Mass349.06
IUPAC Name4-dibenzofuran-2-yloxy-3-nitrobenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H11NO6/c21-19(22)11-5-7-18(15(9-11)20(23)24)25-12-6-8-17-14(10-12)13-3-1-2-4-16(13)26-17/h1-10H,(H,21,22)
InChIKeyIXHSRVIXLJVVCW-UHFFFAOYSA-N
XLogP4.98
TPSA102.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid 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-dibenzofuran-2-yloxy-3-nitrobenzoic acid?
The IUPAC name of 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid (CID 58723403) is 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid.
What is the SMILES notation for 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid?
The canonical SMILES for 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid is O=C(O)c1ccc(Oc2ccc3oc4ccccc4c3c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid?
The InChIKey is IXHSRVIXLJVVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO6/c21-19(22)11-5-7-18(15(9-11)20(23)24)25-12-6-8-17-14(10-12)13-3-1-2-4-16(13)26-17/h1-10H,(H,21,22).
What are the key properties of 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid?
4-dibenzofuran-2-yloxy-3-nitrobenzoic acid has a molecular weight of 349.30 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yloxy-3-nitrobenzoic acid is sourced from PubChem (CID 58723403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).