4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene

C14H12FNO4 — CID 112722723

IUPAC4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
SMILESCOc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12FNO4/c1-19-12-5-2-10(3-6-12)9-20-14-8-11(15)4-7-13(14)16(17)18/h2-8H,9H2,1H3
InChIKeyUHDOJEZCLNDNTG-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.32
Rot. Bonds5

About 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene

4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene (PubChem CID 112722723) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
PubChem CID112722723
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
SMILESCOc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12FNO4/c1-19-12-5-2-10(3-6-12)9-20-14-8-11(15)4-7-13(14)16(17)18/h2-8H,9H2,1H3
InChIKeyUHDOJEZCLNDNTG-UHFFFAOYSA-N
XLogP3.32
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
3-bromo-2-fluoro-1-[(4-methoxyphenyl)methoxy]-4-nitrobenzene
CID 166491033
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
CID 154661760
CID 154661760
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
CID 62116586
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
4-[(5-fluoro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63885407
3-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866290
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene?
The IUPAC name of 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene (CID 112722723) is 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene.
What is the SMILES notation for 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene?
The canonical SMILES for 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene is COc1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene?
The InChIKey is UHDOJEZCLNDNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-19-12-5-2-10(3-6-12)9-20-14-8-11(15)4-7-13(14)16(17)18/h2-8H,9H2,1H3.
What are the key properties of 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene?
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene has a molecular weight of 277.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene is sourced from PubChem (CID 112722723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).