2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene

C14H11F2NO3 — CID 112842745

IUPAC2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2F)c1
InChIInChI=1S/C14H11F2NO3/c1-9-2-5-13(17(18)19)14(6-9)20-8-10-7-11(15)3-4-12(10)16/h2-7H,8H2,1H3
InChIKeyXXFWWDSMZSMFBR-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene

2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene (PubChem CID 112842745) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
PubChem CID112842745
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2F)c1
InChIInChI=1S/C14H11F2NO3/c1-9-2-5-13(17(18)19)14(6-9)20-8-10-7-11(15)3-4-12(10)16/h2-7H,8H2,1H3
InChIKeyXXFWWDSMZSMFBR-UHFFFAOYSA-N
XLogP3.76
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.76
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-[(5-bromo-2-fluorophenyl)methoxy]-4-fluoro-1-nitrobenzene
CID 52617947
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
3-[(5-fluoro-2-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 105371796
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
1-bromo-2,5-dimethoxy-4-[(5-methyl-2-nitrophenoxy)methyl]benzene
CID 36632094
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413
1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 109415518
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene?
The IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene (CID 112842745) is 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene?
The canonical SMILES for 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene is Cc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2F)c1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene?
The InChIKey is XXFWWDSMZSMFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-9-2-5-13(17(18)19)14(6-9)20-8-10-7-11(15)3-4-12(10)16/h2-7H,8H2,1H3.
What are the key properties of 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene?
2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene has a molecular weight of 279.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene is sourced from PubChem (CID 112842745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).