4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene

C15H14FNO4 — CID 112787536

IUPAC4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
SMILESCc1ccccc1OCCOc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO4/c1-11-4-2-3-5-14(11)20-8-9-21-15-10-12(16)6-7-13(15)17(18)19/h2-7,10H,8-9H2,1H3
InChIKeyNQBFVCMGVRBBFN-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.50
Rot. Bonds6

About 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene

4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene (PubChem CID 112787536) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
PubChem CID112787536
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
SMILESCc1ccccc1OCCOc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO4/c1-11-4-2-3-5-14(11)20-8-9-21-15-10-12(16)6-7-13(15)17(18)19/h2-7,10H,8-9H2,1H3
InChIKeyNQBFVCMGVRBBFN-UHFFFAOYSA-N
XLogP3.50
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
2-(4-bromobutoxy)-4-fluoro-1-nitrobenzene
CID 43165171
3-(5-fluoro-2-nitrophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015946
5-methoxy-2-[2-(2-methylphenoxy)ethoxy]-4-nitroaniline
CID 71849874
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350
2-(2-ethylbutoxy)-4-fluoro-1-nitrobenzene
CID 82934906
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2,4-difluoro-1-nitrobenzene;3-(2-methoxyethoxy)-4-nitroaniline
CID 158973677
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
CID 107661881
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene?
The IUPAC name of 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene (CID 112787536) is 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene.
What is the SMILES notation for 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene?
The canonical SMILES for 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene is Cc1ccccc1OCCOc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene?
The InChIKey is NQBFVCMGVRBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-11-4-2-3-5-14(11)20-8-9-21-15-10-12(16)6-7-13(15)17(18)19/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene?
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene has a molecular weight of 291.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene is sourced from PubChem (CID 112787536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).