zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)

C20H24N2O6Zn — CID 139072510

IUPACzinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
SMILESCOc1cccc(/C=N/CCO)c1[O-].COc1cccc(/C=N/CCO)c1[O-].[Zn+2]
InChIInChI=1S/2C10H13NO3.Zn/c2*1-14-9-4-2-3-8(10(9)13)7-11-5-6-12;/h2*2-4,7,12-13H,5-6H2,1H3;/q;;+2/p-2/b2*11-7+;
InChIKeyQETDFBZHWIGETO-NVFNPILPSA-L
MW453.81 g/mol
LogP0.36
Rot. Bonds8

About zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)

zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate) (PubChem CID 139072510) has the molecular formula C20H24N2O6Zn and a molecular weight of 453.81 g/mol. Its IUPAC name is zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate).

Molecular Properties

Compound Namezinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
PubChem CID139072510
Molecular FormulaC20H24N2O6Zn
Molecular Weight453.81 g/mol
Exact Mass452.09
IUPAC Namezinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
SMILESCOc1cccc(/C=N/CCO)c1[O-].COc1cccc(/C=N/CCO)c1[O-].[Zn+2]
InChIInChI=1S/2C10H13NO3.Zn/c2*1-14-9-4-2-3-8(10(9)13)7-11-5-6-12;/h2*2-4,7,12-13H,5-6H2,1H3;/q;;+2/p-2/b2*11-7+;
InChIKeyQETDFBZHWIGETO-NVFNPILPSA-L
XLogP0.36
TPSA129.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.81
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

lanthanum(3+);methanol;2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate;nickel(2+);trinitrate
CID 139075236
bis(2-methoxy-6-[2-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenolate);bis(yttrium(3+));dinitrate
CID 139116350
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate
CID 139162468
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
dizinc;acetonitrile;lanthanum(3+);bis(2-methoxy-6-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diisothiocyanate;nitrate
CID 139167142
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
bis(gadolinium(3+));bis(2-methoxy-6-[2-[2-(3-methoxy-2-oxidophenyl)-3-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyliminomethyl]phenolate)
CID 139196879
bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)
CID 139082752
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)?
The IUPAC name of zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate) (CID 139072510) is zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate).
What is the SMILES notation for zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)?
The canonical SMILES for zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate) is COc1cccc(/C=N/CCO)c1[O-].COc1cccc(/C=N/CCO)c1[O-].[Zn+2].
What is the InChIKey of zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)?
The InChIKey is QETDFBZHWIGETO-NVFNPILPSA-L. The full InChI is InChI=1S/2C10H13NO3.Zn/c2*1-14-9-4-2-3-8(10(9)13)7-11-5-6-12;/h2*2-4,7,12-13H,5-6H2,1H3;/q;;+2/p-2/b2*11-7+;.
What are the key properties of zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)?
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate) has a molecular weight of 453.81 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate) is sourced from PubChem (CID 139072510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).