ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate

C15H15NO6 — CID 135754072

IUPACethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C/C(=N\O)c2ccc(O)cc2O)o1
InChIInChI=1S/C15H15NO6/c1-2-21-15(19)14-6-4-10(22-14)8-12(16-20)11-5-3-9(17)7-13(11)18/h3-7,17-18,20H,2,8H2,1H3/b16-12+
InChIKeyFXMZORIQNOXYIA-FOWTUZBSSA-N
MW305.29 g/mol
LogP2.29
Rot. Bonds5

About ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate

ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate (PubChem CID 135754072) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
PubChem CID135754072
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Nameethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C/C(=N\O)c2ccc(O)cc2O)o1
InChIInChI=1S/C15H15NO6/c1-2-21-15(19)14-6-4-10(22-14)8-12(16-20)11-5-3-9(17)7-13(11)18/h3-7,17-18,20H,2,8H2,1H3/b16-12+
InChIKeyFXMZORIQNOXYIA-FOWTUZBSSA-N
XLogP2.29
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[(2Z)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate
CID 135638492
tetrakis(ethyl 5-[2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-carboxylate);hydrate
CID 170907840
ethyl 5-[2-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoethyl]furan-2-carboxylate
CID 854591
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 135992550
4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
CID 136848905
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
CID 21261764
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate (CID 135754072) is ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate is CCOC(=O)c1ccc(C/C(=N\O)c2ccc(O)cc2O)o1.
What is the InChIKey of ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate?
The InChIKey is FXMZORIQNOXYIA-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H15NO6/c1-2-21-15(19)14-6-4-10(22-14)8-12(16-20)11-5-3-9(17)7-13(11)18/h3-7,17-18,20H,2,8H2,1H3/b16-12+.
What are the key properties of ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate?
ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2E)-2-(2,4-dihydroxyphenyl)-2-hydroxyiminoethyl]furan-2-carboxylate is sourced from PubChem (CID 135754072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).