2-[(4-nitrophenyl)methoxy]benzaldehyde

C14H11NO4 — CID 720715

IUPAC2-[(4-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11NO4/c16-9-12-3-1-2-4-14(12)19-10-11-5-7-13(8-6-11)15(17)18/h1-9H,10H2
InChIKeyAXZLBQBZZLPIMB-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.99
Rot. Bonds5

About 2-[(4-nitrophenyl)methoxy]benzaldehyde

2-[(4-nitrophenyl)methoxy]benzaldehyde (PubChem CID 720715) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methoxy]benzaldehyde
PubChem CID720715
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-[(4-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11NO4/c16-9-12-3-1-2-4-14(12)19-10-11-5-7-13(8-6-11)15(17)18/h1-9H,10H2
InChIKeyAXZLBQBZZLPIMB-UHFFFAOYSA-N
XLogP2.99
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.99
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-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
4-(4-Nitrobenzyloxy)benzaldehyde
CID 735836
4-Nitro-benzoic acid phenyl ester
CID 95884
2,5-Bis-(4-nitro-phenyl)-furan
CID 2818433
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
2-(3-Nitrophenyl)-4h-chromen-4-one
CID 252248
6-Bromo-4'-nitroflavone
CID 11688794
6-Nitro-2-phenylchromen-4-one
CID 15731470
6-Fluoro-2-(3-nitrophenyl)chromen-4-one
CID 21239768
2-[2-(4-Nitrophenoxy)ethoxy]benzaldehyde
CID 578365
(2Z)-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one
CID 642385
6-Methyl-2-(3-nitrophenyl)chromen-4-one
CID 733212

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-[(4-nitrophenyl)methoxy]benzaldehyde (CID 720715) is 2-[(4-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(4-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(4-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is AXZLBQBZZLPIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-9-12-3-1-2-4-14(12)19-10-11-5-7-13(8-6-11)15(17)18/h1-9H,10H2.
What are the key properties of 2-[(4-nitrophenyl)methoxy]benzaldehyde?
2-[(4-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 257.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 720715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).