1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene

C13H10FNO3 — CID 80752789

IUPAC1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
SMILESCc1cccc(Oc2cc(F)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10FNO3/c1-9-3-2-4-12(5-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,1H3
InChIKeyWDYBLGTUDIGHFZ-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.83
Rot. Bonds3

About 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene

1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene (PubChem CID 80752789) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
PubChem CID80752789
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
SMILESCc1cccc(Oc2cc(F)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10FNO3/c1-9-3-2-4-12(5-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,1H3
InChIKeyWDYBLGTUDIGHFZ-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-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
1-(3-methylphenoxy)-3-nitro-5-(trifluoromethyl)benzene
CID 139243131
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
1-fluoro-3-[3-(methoxymethyl)phenoxy]-5-nitrobenzene
CID 80752391
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-(3-fluoro-5-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 80753064
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
CID 80751937
2-[3-(3-methylphenoxy)-5-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 71834296
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
3-fluoro-5-(3-nitrophenoxy)benzonitrile
CID 102818009
1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
CID 80752060

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene?
The IUPAC name of 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene (CID 80752789) is 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene.
What is the SMILES notation for 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene?
The canonical SMILES for 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene is Cc1cccc(Oc2cc(F)cc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene?
The InChIKey is WDYBLGTUDIGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-9-3-2-4-12(5-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,1H3.
What are the key properties of 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene?
1-fluoro-3-(3-methylphenoxy)-5-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 1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene is sourced from PubChem (CID 80752789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).