5-(4-nitrophenoxy)furan-2-carbaldehyde

C11H7NO5 — CID 3590045

IUPAC5-(4-nitrophenoxy)furan-2-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C11H7NO5/c13-7-10-5-6-11(17-10)16-9-3-1-8(2-4-9)12(14)15/h1-7H
InChIKeyOEWNJEBZKMCENG-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.79
Rot. Bonds4

About 5-(4-nitrophenoxy)furan-2-carbaldehyde

5-(4-nitrophenoxy)furan-2-carbaldehyde (PubChem CID 3590045) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 5-(4-nitrophenoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-nitrophenoxy)furan-2-carbaldehyde
PubChem CID3590045
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name5-(4-nitrophenoxy)furan-2-carbaldehyde
SMILESO=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C11H7NO5/c13-7-10-5-6-11(17-10)16-9-3-1-8(2-4-9)12(14)15/h1-7H
InChIKeyOEWNJEBZKMCENG-UHFFFAOYSA-N
XLogP2.79
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.79
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

(E)-3-[5-(4-nitrophenoxy)furan-2-yl]prop-2-enoic acid
CID 102537214
5-(2-fluoro-4-nitrophenoxy)furan-2-carbaldehyde
CID 65237520
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
4-nitro-3-(4-nitrophenoxy)benzaldehyde
CID 133447393
5-(5-nitro-2-pyridinyl)furan-2-carbaldehyde
CID 15531640
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
chloromethane;(4-nitrophenyl) formate
CID 143083318
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
CID 153008841
CID 153008841
5-(2,6-dimethyl-4-nitrophenyl)furan-2-carbaldehyde
CID 169332404
5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde
CID 65237718
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(4-nitrophenoxy)furan-2-carbaldehyde (CID 3590045) is 5-(4-nitrophenoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-nitrophenoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-nitrophenoxy)furan-2-carbaldehyde is O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-(4-nitrophenoxy)furan-2-carbaldehyde?
The InChIKey is OEWNJEBZKMCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-7-10-5-6-11(17-10)16-9-3-1-8(2-4-9)12(14)15/h1-7H.
What are the key properties of 5-(4-nitrophenoxy)furan-2-carbaldehyde?
5-(4-nitrophenoxy)furan-2-carbaldehyde has a molecular weight of 233.18 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenoxy)furan-2-carbaldehyde is sourced from PubChem (CID 3590045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).