5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid

C13H12N2O4 — CID 168530565

IUPAC5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
SMILESNN=Cc1cccc(OCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C13H12N2O4/c14-15-7-9-2-1-3-10(6-9)18-8-11-4-5-12(19-11)13(16)17/h1-7H,8,14H2,(H,16,17)
InChIKeyBRQCTBFQOGELIK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.85
Rot. Bonds5

About 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid

5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 168530565) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
PubChem CID168530565
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
SMILESNN=Cc1cccc(OCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C13H12N2O4/c14-15-7-9-2-1-3-10(6-9)18-8-11-4-5-12(19-11)13(16)17/h1-7H,8,14H2,(H,16,17)
InChIKeyBRQCTBFQOGELIK-UHFFFAOYSA-N
XLogP1.85
TPSA98.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[3-[(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 168535569
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
CID 117097680
methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate
CID 170877453
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406860
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
5-[(3-bromo-4-fluorophenoxy)methyl]furan-2-carboxylic acid
CID 83233800
N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
5-[[2-methoxy-4-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 124549673

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid (CID 168530565) is 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid is NN=Cc1cccc(OCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is BRQCTBFQOGELIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c14-15-7-9-2-1-3-10(6-9)18-8-11-4-5-12(19-11)13(16)17/h1-7H,8,14H2,(H,16,17).
What are the key properties of 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid?
5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 168530565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).