2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)

C30H36EuN2O10+3 — CID 140556770

IUPAC2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)
SMILESCOc1cccc(/C=N/c2cc(OCCOCCO)c(OCCOCCO)cc2/N=C/c2cccc(OC)c2O)c1O.[Eu+3]
InChIInChI=1S/C30H36N2O10.Eu/c1-37-25-7-3-5-21(29(25)35)19-31-23-17-27(41-15-13-39-11-9-33)28(42-16-14-40-12-10-34)18-24(23)32-20-22-6-4-8-26(38-2)30(22)36;/h3-8,17-20,33-36H,9-16H2,1-2H3;/q;+3/b31-19+,32-20+;
InChIKeyJFUCSWFEDJWRBH-IZXMOPRRSA-N
MW736.59 g/mol
LogP3.39
Rot. Bonds18

About 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)

2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+) (PubChem CID 140556770) has the molecular formula C30H36EuN2O10+3 and a molecular weight of 736.59 g/mol. Its IUPAC name is 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+).

Molecular Properties

Compound Name2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)
PubChem CID140556770
Molecular FormulaC30H36EuN2O10+3
Molecular Weight736.59 g/mol
Exact Mass737.16
IUPAC Name2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)
SMILESCOc1cccc(/C=N/c2cc(OCCOCCO)c(OCCOCCO)cc2/N=C/c2cccc(OC)c2O)c1O.[Eu+3]
InChIInChI=1S/C30H36N2O10.Eu/c1-37-25-7-3-5-21(29(25)35)19-31-23-17-27(41-15-13-39-11-9-33)28(42-16-14-40-12-10-34)18-24(23)32-20-22-6-4-8-26(38-2)30(22)36;/h3-8,17-20,33-36H,9-16H2,1-2H3;/q;+3/b31-19+,32-20+;
InChIKeyJFUCSWFEDJWRBH-IZXMOPRRSA-N
XLogP3.39
TPSA161.02 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.59
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
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-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
CID 136857641
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
CID 4120706
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)?
The IUPAC name of 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+) (CID 140556770) is 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+).
What is the SMILES notation for 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)?
The canonical SMILES for 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+) is COc1cccc(/C=N/c2cc(OCCOCCO)c(OCCOCCO)cc2/N=C/c2cccc(OC)c2O)c1O.[Eu+3].
What is the InChIKey of 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)?
The InChIKey is JFUCSWFEDJWRBH-IZXMOPRRSA-N. The full InChI is InChI=1S/C30H36N2O10.Eu/c1-37-25-7-3-5-21(29(25)35)19-31-23-17-27(41-15-13-39-11-9-33)28(42-16-14-40-12-10-34)18-24(23)32-20-22-6-4-8-26(38-2)30(22)36;/h3-8,17-20,33-36H,9-16H2,1-2H3;/q;+3/b31-19+,32-20+;.
What are the key properties of 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)?
2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+) has a molecular weight of 736.59 g/mol, XLogP of 3.39, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+) is sourced from PubChem (CID 140556770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).