2-fluoro-5-methoxy-1-nitro-3-phenylbenzene

C13H10FNO3 — CID 91554743

IUPAC2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
SMILESCOc1cc(-c2ccccc2)c(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FNO3/c1-18-10-7-11(9-5-3-2-4-6-9)13(14)12(8-10)15(16)17/h2-8H,1H3
InChIKeyZRYXFKJBQCROOE-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.41
Rot. Bonds3

About 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene

2-fluoro-5-methoxy-1-nitro-3-phenylbenzene (PubChem CID 91554743) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
PubChem CID91554743
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
SMILESCOc1cc(-c2ccccc2)c(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FNO3/c1-18-10-7-11(9-5-3-2-4-6-9)13(14)12(8-10)15(16)17/h2-8H,1H3
InChIKeyZRYXFKJBQCROOE-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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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Related Compounds

4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
4-ethoxy-2-nitro-1-phenylbenzene
CID 165358913
2-methoxy-5-nitro-4-phenylphenol
CID 134907742
4-methoxy-2-nitro-1-phenylselanylbenzene
CID 141490695
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747
2-[2-[2-(2-fluoro-3-nitrophenyl)phenyl]-6-methoxyphenyl]-6-phenylaniline
CID 170184022
2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
CID 171121619
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
1,3-dimethoxy-5-phenylbenzene
CID 11469945

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene?
The IUPAC name of 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene (CID 91554743) is 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene.
What is the SMILES notation for 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene?
The canonical SMILES for 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene is COc1cc(-c2ccccc2)c(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene?
The InChIKey is ZRYXFKJBQCROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-10-7-11(9-5-3-2-4-6-9)13(14)12(8-10)15(16)17/h2-8H,1H3.
What are the key properties of 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene?
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene has a molecular weight of 247.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-nitro-3-phenylbenzene is sourced from PubChem (CID 91554743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).