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

C20H24N2O4 — CID 135487695

IUPAC2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESCCOc1cccc(/C=N/CC/N=C/c2cccc(OCC)c2O)c1O
InChIInChI=1S/C20H24N2O4/c1-3-25-17-9-5-7-15(19(17)23)13-21-11-12-22-14-16-8-6-10-18(20(16)24)26-4-2/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+
InChIKeyBYVQIEDYUFEJJI-JFMUQQRKSA-N
MW356.42 g/mol
LogP3.43
Rot. Bonds9

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

2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 135487695) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID135487695
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESCCOc1cccc(/C=N/CC/N=C/c2cccc(OCC)c2O)c1O
InChIInChI=1S/C20H24N2O4/c1-3-25-17-9-5-7-15(19(17)23)13-21-11-12-22-14-16-8-6-10-18(20(16)24)26-4-2/h5-10,13-14,23-24H,3-4,11-12H2,1-2H3/b21-13+,22-14+
InChIKeyBYVQIEDYUFEJJI-JFMUQQRKSA-N
XLogP3.43
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyliminomethyl]-6-ethoxyphenol
CID 135818032
gallium 2-ethoxy-6-[[3-[2-[[3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]amino]ethylamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 135437988
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-6-ethoxyphenol
CID 135595845
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 135487695) is 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is CCOc1cccc(/C=N/CC/N=C/c2cccc(OCC)c2O)c1O.
What is the InChIKey of 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is BYVQIEDYUFEJJI-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-25-17-9-5-7-15(19(17)23)13-21-11-12-22-14-16-8-6-10-18(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-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 356.42 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 135487695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).