3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde

C14H10FNO4 — CID 62116586

IUPAC3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C14H10FNO4/c15-12-4-1-10(2-5-12)9-20-14-7-11(8-17)3-6-13(14)16(18)19/h1-8H,9H2
InChIKeyRFFXXQDECYHFJY-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.13
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde

3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde (PubChem CID 62116586) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
PubChem CID62116586
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C14H10FNO4/c15-12-4-1-10(2-5-12)9-20-14-7-11(8-17)3-6-13(14)16(18)19/h1-8H,9H2
InChIKeyRFFXXQDECYHFJY-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

3-[[4-(hydroxymethyl)phenyl]methoxy]-4-nitrobenzaldehyde
CID 115969403
3-[(5-fluoro-2-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 105371796
3-[(3-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 62116760
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
4-nitro-3-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 55041204
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
3-(3-hydroxypropoxy)-4-nitrobenzaldehyde
CID 62115712
3-[(3-methyl-2-pyridinyl)methoxy]-4-nitrobenzaldehyde
CID 115886860
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
3-(2-hydroxy-2-methylpropoxy)-4-nitrobenzaldehyde
CID 62116416

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde (CID 62116586) is 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde is O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde?
The InChIKey is RFFXXQDECYHFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-12-4-1-10(2-5-12)9-20-14-7-11(8-17)3-6-13(14)16(18)19/h1-8H,9H2.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde?
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde has a molecular weight of 275.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde is sourced from PubChem (CID 62116586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).