1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene

C13H10FNO3 — CID 22137953

IUPAC1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene
SMILESCc1cccc(F)c1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FNO3/c1-9-3-2-4-12(14)13(9)18-11-7-5-10(6-8-11)15(16)17/h2-8H,1H3
InChIKeyYACXGVTYXSHTSI-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.83
Rot. Bonds3

About 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene

1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene (PubChem CID 22137953) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene
PubChem CID22137953
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene
SMILESCc1cccc(F)c1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FNO3/c1-9-3-2-4-12(14)13(9)18-11-7-5-10(6-8-11)15(16)17/h2-8H,1H3
InChIKeyYACXGVTYXSHTSI-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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Related Compounds

1,3-difluoro-2-(4-nitrophenoxy)benzene;4-(2,6-difluorophenoxy)aniline;[4-(2,6-difluorophenoxy)phenyl]hydrazine
CID 167650329
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanone
CID 60678624
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
1,3-dichloro-4-methyl-2-(4-nitrophenoxy)benzene
CID 91550976
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
4-(2,6-dimethylphenoxy)-2-nitroaniline
CID 58017485
1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
2,4-dimethoxy-6-(4-nitrophenoxy)benzene-1,3,5-triol
CID 166787691
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene?
The IUPAC name of 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene (CID 22137953) is 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene is Cc1cccc(F)c1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene?
The InChIKey is YACXGVTYXSHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-9-3-2-4-12(14)13(9)18-11-7-5-10(6-8-11)15(16)17/h2-8H,1H3.
What are the key properties of 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene?
1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene 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 1-fluoro-3-methyl-2-(4-nitrophenoxy)benzene is sourced from PubChem (CID 22137953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).