4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde

C14H11NO5 — CID 158803973

IUPAC4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(O)c(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11NO5/c16-8-10-5-6-13(17)14(7-10)20-9-11-3-1-2-4-12(11)15(18)19/h1-8,17H,9H2
InChIKeyITVLIOCEGSAANA-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.69
Rot. Bonds5

About 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde

4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde (PubChem CID 158803973) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
PubChem CID158803973
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(O)c(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11NO5/c16-8-10-5-6-13(17)14(7-10)20-9-11-3-1-2-4-12(11)15(18)19/h1-8,17H,9H2
InChIKeyITVLIOCEGSAANA-UHFFFAOYSA-N
XLogP2.69
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210
N-[2-[4-hydroxy-3-[(2-nitrophenyl)methoxy]phenyl]ethyl]prop-2-enamide
CID 102197407
3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
CID 144785084
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
3-bromo-5-ethoxy-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 1252083
4-hydroxy-3-nitrobenzaldehyde
CID 18169
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
CID 58864026
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
3-nitro-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 55108248

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde (CID 158803973) is 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde is O=Cc1ccc(O)c(OCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is ITVLIOCEGSAANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c16-8-10-5-6-13(17)14(7-10)20-9-11-3-1-2-4-12(11)15(18)19/h1-8,17H,9H2.
What are the key properties of 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde?
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 273.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 158803973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).