4-fluoro-1-nitro-2-phenylmethoxybenzene

C13H10FNO3 — CID 11096908

IUPAC4-fluoro-1-nitro-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C13H10FNO3/c14-11-6-7-12(15(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyFOYQTDKPDAJMPF-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.31
Rot. Bonds4

About 4-fluoro-1-nitro-2-phenylmethoxybenzene

4-fluoro-1-nitro-2-phenylmethoxybenzene (PubChem CID 11096908) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-fluoro-1-nitro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-fluoro-1-nitro-2-phenylmethoxybenzene
PubChem CID11096908
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name4-fluoro-1-nitro-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C13H10FNO3/c14-11-6-7-12(15(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyFOYQTDKPDAJMPF-UHFFFAOYSA-N
XLogP3.31
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.31
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 4-fluoro-1-nitro-2-phenylmethoxybenzene?
The IUPAC name of 4-fluoro-1-nitro-2-phenylmethoxybenzene (CID 11096908) is 4-fluoro-1-nitro-2-phenylmethoxybenzene.
What is the SMILES notation for 4-fluoro-1-nitro-2-phenylmethoxybenzene?
The canonical SMILES for 4-fluoro-1-nitro-2-phenylmethoxybenzene is O=[N+]([O-])c1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of 4-fluoro-1-nitro-2-phenylmethoxybenzene?
The InChIKey is FOYQTDKPDAJMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-6-7-12(15(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-fluoro-1-nitro-2-phenylmethoxybenzene?
4-fluoro-1-nitro-2-phenylmethoxybenzene has a molecular weight of 247.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-nitro-2-phenylmethoxybenzene is sourced from PubChem (CID 11096908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).