(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate

C14H14N2O4 — CID 168530496

IUPAC(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
SMILESCCOc1cc(C=NN)ccc1OC(=O)c1ccco1
InChIInChI=1S/C14H14N2O4/c1-2-18-13-8-10(9-16-15)5-6-11(13)20-14(17)12-4-3-7-19-12/h3-9H,2,15H2,1H3
InChIKeyGOXARUHJOLFVAQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.19
Rot. Bonds5

About (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate

(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate (PubChem CID 168530496) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
PubChem CID168530496
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
SMILESCCOc1cc(C=NN)ccc1OC(=O)c1ccco1
InChIInChI=1S/C14H14N2O4/c1-2-18-13-8-10(9-16-15)5-6-11(13)20-14(17)12-4-3-7-19-12/h3-9H,2,15H2,1H3
InChIKeyGOXARUHJOLFVAQ-UHFFFAOYSA-N
XLogP2.19
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-4-formylphenyl) furan-2-carboxylate
CID 672303
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 1243915
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[4-[(E)-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] furan-2-carboxylate
CID 43907026
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
[2-ethoxy-4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
CID 1232667
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
[2-ethoxy-4-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126223416
[2-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
CID 2935672
[2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126401725
[2-ethoxy-4-[[(5-iodo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126402455

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate?
The IUPAC name of (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate (CID 168530496) is (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate.
What is the SMILES notation for (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate?
The canonical SMILES for (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate is CCOc1cc(C=NN)ccc1OC(=O)c1ccco1.
What is the InChIKey of (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate?
The InChIKey is GOXARUHJOLFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-18-13-8-10(9-16-15)5-6-11(13)20-14(17)12-4-3-7-19-12/h3-9H,2,15H2,1H3.
What are the key properties of (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate?
(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate is sourced from PubChem (CID 168530496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).