4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene

C13H10FNO3 — CID 22147723

IUPAC4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FNO3/c1-18-13-7-6-9(14)8-11(13)10-4-2-3-5-12(10)15(16)17/h2-8H,1H3
InChIKeyOZKHENZPZBJPIN-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.41
Rot. Bonds3

About 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene

4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene (PubChem CID 22147723) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
PubChem CID22147723
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
SMILESCOc1ccc(F)cc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FNO3/c1-18-13-7-6-9(14)8-11(13)10-4-2-3-5-12(10)15(16)17/h2-8H,1H3
InChIKeyOZKHENZPZBJPIN-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

1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene
CID 122463913
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
CID 171121619
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene?
The IUPAC name of 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene (CID 22147723) is 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene.
What is the SMILES notation for 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene?
The canonical SMILES for 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene is COc1ccc(F)cc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene?
The InChIKey is OZKHENZPZBJPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13-7-6-9(14)8-11(13)10-4-2-3-5-12(10)15(16)17/h2-8H,1H3.
What are the key properties of 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene?
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene 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 4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene is sourced from PubChem (CID 22147723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).