2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene

C15H14FNO3 — CID 62663992

IUPAC2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(Oc2cccc(F)c2[N+](=O)[O-])c1C
InChIInChI=1S/C15H14FNO3/c1-9-7-8-10(2)15(11(9)3)20-13-6-4-5-12(16)14(13)17(18)19/h4-8H,1-3H3
InChIKeyOIGWOCAOOYFHQA-UHFFFAOYSA-N
MW275.28 g/mol
LogP4.45
Rot. Bonds3

About 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene

2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene (PubChem CID 62663992) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
PubChem CID62663992
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(Oc2cccc(F)c2[N+](=O)[O-])c1C
InChIInChI=1S/C15H14FNO3/c1-9-7-8-10(2)15(11(9)3)20-13-6-4-5-12(16)14(13)17(18)19/h4-8H,1-3H3
InChIKeyOIGWOCAOOYFHQA-UHFFFAOYSA-N
XLogP4.45
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 54.45
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

2-nitro-3-(2,3,6-trimethylphenoxy)aniline
CID 80875148
1-(3-fluoro-2-nitrophenoxy)-2,3,5-trimethylbenzene
CID 62663989
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
CID 62662926
3-(4-chloro-2,6-dimethylphenoxy)-2-nitroaniline
CID 80863111
1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
CID 62664890
3-(3-fluoro-4-methylphenoxy)-2-nitrobenzoic acid
CID 107168850
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284
1-methyl-2-nitro-3-[3,3,4,4-tetrafluoro-2-(3-methyl-2-nitrophenoxy)cyclobuten-1-yl]oxybenzene
CID 121234928
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene?
The IUPAC name of 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene (CID 62663992) is 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene?
The canonical SMILES for 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene is Cc1ccc(C)c(Oc2cccc(F)c2[N+](=O)[O-])c1C.
What is the InChIKey of 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene?
The InChIKey is OIGWOCAOOYFHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-7-8-10(2)15(11(9)3)20-13-6-4-5-12(16)14(13)17(18)19/h4-8H,1-3H3.
What are the key properties of 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene?
2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene has a molecular weight of 275.28 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene is sourced from PubChem (CID 62663992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).