4-nitro-2-phenylphenol

C12H9NO3 — CID 20278

IUPAC4-nitro-2-phenylphenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C12H9NO3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h1-8,14H
InChIKeyFIBBSIRCVZWBML-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.97
Rot. Bonds2

About 4-nitro-2-phenylphenol

4-nitro-2-phenylphenol (PubChem CID 20278) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-nitro-2-phenylphenol.

Molecular Properties

Compound Name4-nitro-2-phenylphenol
PubChem CID20278
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-nitro-2-phenylphenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C12H9NO3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h1-8,14H
InChIKeyFIBBSIRCVZWBML-UHFFFAOYSA-N
XLogP2.97
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-phenylphenol?
The IUPAC name of 4-nitro-2-phenylphenol (CID 20278) is 4-nitro-2-phenylphenol.
What is the SMILES notation for 4-nitro-2-phenylphenol?
The canonical SMILES for 4-nitro-2-phenylphenol is O=[N+]([O-])c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-nitro-2-phenylphenol?
The InChIKey is FIBBSIRCVZWBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 4-nitro-2-phenylphenol?
4-nitro-2-phenylphenol has a molecular weight of 215.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-phenylphenol is sourced from PubChem (CID 20278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).