2,4-dinitro-6-phenylphenol

C12H8N2O5 — CID 12900

IUPAC2,4-dinitro-6-phenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-7,15H
InChIKeyHXNGWMWUICJCDR-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.88
Rot. Bonds3

About 2,4-dinitro-6-phenylphenol

2,4-dinitro-6-phenylphenol (PubChem CID 12900) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2,4-dinitro-6-phenylphenol.

Molecular Properties

Compound Name2,4-dinitro-6-phenylphenol
PubChem CID12900
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name2,4-dinitro-6-phenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-7,15H
InChIKeyHXNGWMWUICJCDR-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-6-phenylphenol?
The IUPAC name of 2,4-dinitro-6-phenylphenol (CID 12900) is 2,4-dinitro-6-phenylphenol.
What is the SMILES notation for 2,4-dinitro-6-phenylphenol?
The canonical SMILES for 2,4-dinitro-6-phenylphenol is O=[N+]([O-])c1cc(-c2ccccc2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2,4-dinitro-6-phenylphenol?
The InChIKey is HXNGWMWUICJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-7,15H.
What are the key properties of 2,4-dinitro-6-phenylphenol?
2,4-dinitro-6-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 2,4-dinitro-6-phenylphenol is sourced from PubChem (CID 12900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).