4-[(4-nitrophenyl)methoxy]benzaldehyde

C14H11NO4 — CID 735836

IUPAC4-[(4-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2
InChIKeyRIYUFYPNHRLRON-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.99
Rot. Bonds5

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

4-[(4-nitrophenyl)methoxy]benzaldehyde (PubChem CID 735836) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methoxy]benzaldehyde
PubChem CID735836
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-[(4-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2
InChIKeyRIYUFYPNHRLRON-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

1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
CID 134324420
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1355771
1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
2-cyano-3-[4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20994154
N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 23343969
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(4-nitrophenyl)methoxy]benzaldehyde (CID 735836) is 4-[(4-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(4-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(4-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is RIYUFYPNHRLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2.
What are the key properties of 4-[(4-nitrophenyl)methoxy]benzaldehyde?
4-[(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 4-[(4-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 735836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).