4-(5-fluoro-2-nitrophenyl)phenol

C12H8FNO3 — CID 174821144

IUPAC4-(5-fluoro-2-nitrophenyl)phenol
SMILESO=[N+]([O-])c1ccc(F)cc1-c1ccc(O)cc1
InChIInChI=1S/C12H8FNO3/c13-9-3-6-12(14(16)17)11(7-9)8-1-4-10(15)5-2-8/h1-7,15H
InChIKeyJCOITQXJFOUDII-UHFFFAOYSA-N
MW233.20 g/mol
LogP3.11
Rot. Bonds2

About 4-(5-fluoro-2-nitrophenyl)phenol

4-(5-fluoro-2-nitrophenyl)phenol (PubChem CID 174821144) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(5-fluoro-2-nitrophenyl)phenol.

Molecular Properties

Compound Name4-(5-fluoro-2-nitrophenyl)phenol
PubChem CID174821144
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name4-(5-fluoro-2-nitrophenyl)phenol
SMILESO=[N+]([O-])c1ccc(F)cc1-c1ccc(O)cc1
InChIInChI=1S/C12H8FNO3/c13-9-3-6-12(14(16)17)11(7-9)8-1-4-10(15)5-2-8/h1-7,15H
InChIKeyJCOITQXJFOUDII-UHFFFAOYSA-N
XLogP3.11
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 53.11
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-(5-fluoro-2-nitrophenyl)phenol?
The IUPAC name of 4-(5-fluoro-2-nitrophenyl)phenol (CID 174821144) is 4-(5-fluoro-2-nitrophenyl)phenol.
What is the SMILES notation for 4-(5-fluoro-2-nitrophenyl)phenol?
The canonical SMILES for 4-(5-fluoro-2-nitrophenyl)phenol is O=[N+]([O-])c1ccc(F)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-fluoro-2-nitrophenyl)phenol?
The InChIKey is JCOITQXJFOUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-9-3-6-12(14(16)17)11(7-9)8-1-4-10(15)5-2-8/h1-7,15H.
What are the key properties of 4-(5-fluoro-2-nitrophenyl)phenol?
4-(5-fluoro-2-nitrophenyl)phenol has a molecular weight of 233.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-nitrophenyl)phenol is sourced from PubChem (CID 174821144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).