2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene

C13H10FNO3 — CID 91715671

IUPAC2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2)c1
InChIInChI=1S/C13H10FNO3/c1-9-5-6-12(15(16)17)13(7-9)18-11-4-2-3-10(14)8-11/h2-8H,1H3
InChIKeyGLJDAWLOQHCZRX-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.83
Rot. Bonds3

About 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene

2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene (PubChem CID 91715671) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene
PubChem CID91715671
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2)c1
InChIInChI=1S/C13H10FNO3/c1-9-5-6-12(15(16)17)13(7-9)18-11-4-2-3-10(14)8-11/h2-8H,1H3
InChIKeyGLJDAWLOQHCZRX-UHFFFAOYSA-N
XLogP3.83
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
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 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene?
The IUPAC name of 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene (CID 91715671) is 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene.
What is the SMILES notation for 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene?
The canonical SMILES for 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene is Cc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene?
The InChIKey is GLJDAWLOQHCZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-9-5-6-12(15(16)17)13(7-9)18-11-4-2-3-10(14)8-11/h2-8H,1H3.
What are the key properties of 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene?
2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene has a molecular weight of 247.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-4-methyl-1-nitrobenzene is sourced from PubChem (CID 91715671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).