4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde

C14H9ClFNO4 — CID 114849387

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClFNO4/c15-11-3-2-10(12(16)6-11)8-21-14-4-1-9(7-18)5-13(14)17(19)20/h1-7H,8H2
InChIKeySEYJDZWPCSBRPX-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.78
Rot. Bonds5

About 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde

4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde (PubChem CID 114849387) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
PubChem CID114849387
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClFNO4/c15-11-3-2-10(12(16)6-11)8-21-14-4-1-9(7-18)5-13(14)17(19)20/h1-7H,8H2
InChIKeySEYJDZWPCSBRPX-UHFFFAOYSA-N
XLogP3.78
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.78
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

4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
4-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
CID 60722601
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
4-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-1-nitrobenzene
CID 114850357
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
3-nitro-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 55108248
4-[(3,5-dimethylphenyl)methoxy]-3-nitrobenzaldehyde
CID 60644504
4-(3-chloro-4-fluorophenoxy)-3-nitrobenzaldehyde
CID 9281846
4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
CID 114381649
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
3-nitro-4-propoxybenzaldehyde
CID 28690176

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde (CID 114849387) is 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde?
The InChIKey is SEYJDZWPCSBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-11-3-2-10(12(16)6-11)8-21-14-4-1-9(7-18)5-13(14)17(19)20/h1-7H,8H2.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde?
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde has a molecular weight of 309.68 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde is sourced from PubChem (CID 114849387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).