5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde

C13H11NO6 — CID 103201880

IUPAC5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
SMILESCOc1ccc(OCc2ccc(C=O)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11NO6/c1-18-13-5-4-9(6-12(13)14(16)17)19-8-11-3-2-10(7-15)20-11/h2-7H,8H2,1H3
InChIKeyPAFKUOKKTZXHIO-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.59
Rot. Bonds6

About 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde

5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde (PubChem CID 103201880) has the molecular formula C13H11NO6 and a molecular weight of 277.23 g/mol. Its IUPAC name is 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
PubChem CID103201880
Molecular FormulaC13H11NO6
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
SMILESCOc1ccc(OCc2ccc(C=O)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11NO6/c1-18-13-5-4-9(6-12(13)14(16)17)19-8-11-3-2-10(7-15)20-11/h2-7H,8H2,1H3
InChIKeyPAFKUOKKTZXHIO-UHFFFAOYSA-N
XLogP2.59
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 843215
5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
CID 97035067
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde
CID 113372401
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
4-methoxy-3-nitrobenzaldehyde
CID 700608
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243
4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]benzaldehyde
CID 590887
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593
4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 103202251
4-[[1-(bromomethyl)cyclopentyl]methoxy]-1-methoxy-2-nitrobenzene
CID 103201590

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde (CID 103201880) is 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde is COc1ccc(OCc2ccc(C=O)o2)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde?
The InChIKey is PAFKUOKKTZXHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO6/c1-18-13-5-4-9(6-12(13)14(16)17)19-8-11-3-2-10(7-15)20-11/h2-7H,8H2,1H3.
What are the key properties of 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde?
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde has a molecular weight of 277.23 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 103201880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).