5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde

C13H11NO5 — CID 169332012

IUPAC5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
SMILESCCOc1ccc([N+](=O)[O-])c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C13H11NO5/c1-2-18-9-3-5-12(14(16)17)11(7-9)13-6-4-10(8-15)19-13/h3-8H,2H2,1H3
InChIKeyJAIALDKRRWVBGT-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.07
Rot. Bonds5

About 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde

5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde (PubChem CID 169332012) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
PubChem CID169332012
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
SMILESCCOc1ccc([N+](=O)[O-])c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C13H11NO5/c1-2-18-9-3-5-12(14(16)17)11(7-9)13-6-4-10(8-15)19-13/h3-8H,2H2,1H3
InChIKeyJAIALDKRRWVBGT-UHFFFAOYSA-N
XLogP3.07
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
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

ethyl 4-[3-(5-formylfuran-2-yl)-4-nitrophenyl]piperazine-1-carboxylate
CID 169333675
[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674112
5-(4-bromo-2-nitro-5-pentoxyphenyl)furan-2-carbaldehyde
CID 169332687
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
5-(2-nitro-5-phenylsulfanylphenyl)furan-2-carbaldehyde
CID 169331909
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 843215
5-(4-ethoxy-2-nitrophenyl)furan-2-carboxylic acid
CID 56736978
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
CID 169334795
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 103201880
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
CID 169333305

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde (CID 169332012) is 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde is CCOc1ccc([N+](=O)[O-])c(-c2ccc(C=O)o2)c1.
What is the InChIKey of 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde?
The InChIKey is JAIALDKRRWVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-2-18-9-3-5-12(14(16)17)11(7-9)13-6-4-10(8-15)19-13/h3-8H,2H2,1H3.
What are the key properties of 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde?
5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde has a molecular weight of 261.23 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).