5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde

C14H12N2O4 — CID 89035759

IUPAC5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde
SMILESNc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(C=O)c1
InChIInChI=1S/C14H12N2O4/c15-12-3-6-14(11(7-12)8-17)20-9-10-1-4-13(5-2-10)16(18)19/h1-8H,9,15H2
InChIKeyIPOBRHMZAUYBIP-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.57
Rot. Bonds5

About 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde

5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde (PubChem CID 89035759) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde
PubChem CID89035759
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde
SMILESNc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(C=O)c1
InChIInChI=1S/C14H12N2O4/c15-12-3-6-14(11(7-12)8-17)20-9-10-1-4-13(5-2-10)16(18)19/h1-8H,9,15H2
InChIKeyIPOBRHMZAUYBIP-UHFFFAOYSA-N
XLogP2.57
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
2-[(3-chloro-4-fluorophenyl)methoxy]-5-nitrobenzaldehyde
CID 102974826
2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 1342916
4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
CID 126374464
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
4-[(4-nitrophenyl)methoxy]benzene-1,3-diol
CID 139941851
2-[(4-chlorophenyl)methoxy]-5-nitroaniline
CID 65127132
4-[(2-formyl-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 8534889
2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524
2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrobenzaldehyde
CID 102881298

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde (CID 89035759) is 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde is Nc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(C=O)c1.
What is the InChIKey of 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is IPOBRHMZAUYBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-12-3-6-14(11(7-12)8-17)20-9-10-1-4-13(5-2-10)16(18)19/h1-8H,9,15H2.
What are the key properties of 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde?
5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 272.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 89035759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).