2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan

C13H10N2O6 — CID 40567403

IUPAC2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
SMILESCOc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O6/c1-20-10-2-4-11(12(8-10)15(18)19)13-5-3-9(21-13)6-7-14(16)17/h2-8H,1H3/b7-6+
InChIKeyWWDOOXDLVFPDNB-VOTSOKGWSA-N
MW290.23 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan

2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan (PubChem CID 40567403) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
PubChem CID40567403
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
SMILESCOc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O6/c1-20-10-2-4-11(12(8-10)15(18)19)13-5-3-9(21-13)6-7-14(16)17/h2-8H,1H3/b7-6+
InChIKeyWWDOOXDLVFPDNB-VOTSOKGWSA-N
XLogP3.11
TPSA108.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 124662764
N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 3674969
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 4910648
8-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 19656171
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
(E)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 126352290
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
CID 50884274
2-(2-bromo-4-methylphenyl)-5-(2-nitroethenyl)furan
CID 898866
4-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 5473247
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
The IUPAC name of 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan (CID 40567403) is 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
The canonical SMILES for 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan is COc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
The InChIKey is WWDOOXDLVFPDNB-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10N2O6/c1-20-10-2-4-11(12(8-10)15(18)19)13-5-3-9(21-13)6-7-14(16)17/h2-8H,1H3/b7-6+.
What are the key properties of 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan has a molecular weight of 290.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan is sourced from PubChem (CID 40567403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).