5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid

C12H9NO7 — CID 102702579

IUPAC5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H9NO7/c1-18-7-2-3-8(13(16)17)10(6-7)20-11-5-4-9(19-11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyCXIMUUDIPIZGJN-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.69
Rot. Bonds5

About 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid

5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid (PubChem CID 102702579) has the molecular formula C12H9NO7 and a molecular weight of 279.20 g/mol. Its IUPAC name is 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid
PubChem CID102702579
Molecular FormulaC12H9NO7
Molecular Weight279.20 g/mol
Exact Mass279.04
IUPAC Name5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H9NO7/c1-18-7-2-3-8(13(16)17)10(6-7)20-11-5-4-9(19-11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyCXIMUUDIPIZGJN-UHFFFAOYSA-N
XLogP2.69
TPSA112.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
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

5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid
CID 55049940
5-(4-methoxy-2-nitrophenyl)sulfanylfuran-2-carboxylic acid
CID 63947377
2-(5-chloro-2-nitrophenoxy)-4-methoxybenzoic acid
CID 14489875
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702881
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid (CID 102702579) is 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid is COc1ccc([N+](=O)[O-])c(Oc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid?
The InChIKey is CXIMUUDIPIZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO7/c1-18-7-2-3-8(13(16)17)10(6-7)20-11-5-4-9(19-11)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid?
5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid has a molecular weight of 279.20 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 102702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).