2,6-dinitro-4-phenylphenol

C12H8N2O5 — CID 20043

IUPAC2,6-dinitro-4-phenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C12H8N2O5/c15-12-10(13(16)17)6-9(7-11(12)14(18)19)8-4-2-1-3-5-8/h1-7,15H
InChIKeyTYLHNVQINZRZFJ-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.88
Rot. Bonds3

About 2,6-dinitro-4-phenylphenol

2,6-dinitro-4-phenylphenol (PubChem CID 20043) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2,6-dinitro-4-phenylphenol.

Molecular Properties

Compound Name2,6-dinitro-4-phenylphenol
PubChem CID20043
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name2,6-dinitro-4-phenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C12H8N2O5/c15-12-10(13(16)17)6-9(7-11(12)14(18)19)8-4-2-1-3-5-8/h1-7,15H
InChIKeyTYLHNVQINZRZFJ-UHFFFAOYSA-N
XLogP2.88
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.88
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 2,6-dinitro-4-phenylphenol 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 2,6-dinitro-4-phenylphenol?
The IUPAC name of 2,6-dinitro-4-phenylphenol (CID 20043) is 2,6-dinitro-4-phenylphenol.
What is the SMILES notation for 2,6-dinitro-4-phenylphenol?
The canonical SMILES for 2,6-dinitro-4-phenylphenol is O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2,6-dinitro-4-phenylphenol?
The InChIKey is TYLHNVQINZRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-12-10(13(16)17)6-9(7-11(12)14(18)19)8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 2,6-dinitro-4-phenylphenol?
2,6-dinitro-4-phenylphenol has a molecular weight of 260.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinitro-4-phenylphenol is sourced from PubChem (CID 20043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).