2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde

C14H10FNO4 — CID 115980639

IUPAC2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO4/c15-12-5-10(6-13(7-12)16(18)19)9-20-14-4-2-1-3-11(14)8-17/h1-8H,9H2
InChIKeyZESAMHFNPNTLRV-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.13
Rot. Bonds5

About 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde

2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde (PubChem CID 115980639) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
PubChem CID115980639
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H10FNO4/c15-12-5-10(6-13(7-12)16(18)19)9-20-14-4-2-1-3-11(14)8-17/h1-8H,9H2
InChIKeyZESAMHFNPNTLRV-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

2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
CID 112649453
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
CID 115980729
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde (CID 115980639) is 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccccc1OCc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is ZESAMHFNPNTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-12-5-10(6-13(7-12)16(18)19)9-20-14-4-2-1-3-11(14)8-17/h1-8H,9H2.
What are the key properties of 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde?
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde 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 2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 115980639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).