ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate

C18H18N2O6 — CID 135678556

IUPACethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H18N2O6/c1-2-25-18(24)12-4-7-15(8-5-12)26-11-17(23)20-19-10-13-3-6-14(21)9-16(13)22/h3-10,21-22H,2,11H2,1H3,(H,20,23)/b19-10+
InChIKeyYEICYJMCZWUANX-VXLYETTFSA-N
MW358.35 g/mol
LogP1.80
Rot. Bonds7

About ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate

ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 135678556) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID135678556
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Nameethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H18N2O6/c1-2-25-18(24)12-4-7-15(8-5-12)26-11-17(23)20-19-10-13-3-6-14(21)9-16(13)22/h3-10,21-22H,2,11H2,1H3,(H,20,23)/b19-10+
InChIKeyYEICYJMCZWUANX-VXLYETTFSA-N
XLogP1.80
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

ethyl 4-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 135678562
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 917797
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590241
4-butoxy-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822699
ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 54777648
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 137074822
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 136720872

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate (CID 135678556) is ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is YEICYJMCZWUANX-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-2-25-18(24)12-4-7-15(8-5-12)26-11-17(23)20-19-10-13-3-6-14(21)9-16(13)22/h3-10,21-22H,2,11H2,1H3,(H,20,23)/b19-10+.
What are the key properties of ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate?
ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 358.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 135678556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).