2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol

C20H24N2O6 — CID 139177834

IUPAC2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
SMILESCCOc1cccc(/C=N/OCCO/N=C/c2cccc(OCC)c2O)c1O
InChIInChI=1S/C20H24N2O6/c1-3-25-17-9-5-7-15(19(17)23)13-21-27-11-12-28-22-14-16-8-6-10-18(20(16)24)26-4-2/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+
InChIKeyOANXAKGLETZTQG-JFMUQQRKSA-N
MW388.42 g/mol
LogP3.30
Rot. Bonds11

About 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol

2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol (PubChem CID 139177834) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
PubChem CID139177834
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
SMILESCCOc1cccc(/C=N/OCCO/N=C/c2cccc(OCC)c2O)c1O
InChIInChI=1S/C20H24N2O6/c1-3-25-17-9-5-7-15(19(17)23)13-21-27-11-12-28-22-14-16-8-6-10-18(20(16)24)26-4-2/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+
InChIKeyOANXAKGLETZTQG-JFMUQQRKSA-N
XLogP3.30
TPSA102.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-[(E)-2-[(E)-[2,3-dihydroxy-4-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenyl]methylideneamino]oxyethoxyiminomethyl]-6-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 177489215
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
(E)-N-ethoxy-1-(2-ethoxyphenyl)methanimine
CID 134892743
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol (CID 139177834) is 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol is CCOc1cccc(/C=N/OCCO/N=C/c2cccc(OCC)c2O)c1O.
What is the InChIKey of 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
The InChIKey is OANXAKGLETZTQG-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-3-25-17-9-5-7-15(19(17)23)13-21-27-11-12-28-22-14-16-8-6-10-18(20(16)24)26-4-2/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+.
What are the key properties of 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol has a molecular weight of 388.42 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol is sourced from PubChem (CID 139177834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).