cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate

C20H17CoNO3 — CID 71747155

IUPACcobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate
SMILESO.[Co+2].[O-]c1ccc(/N=C(/c2ccccc2)C([O-])c2ccccc2)cc1
InChIInChI=1S/C20H16NO2.Co.H2O/c22-18-13-11-17(12-14-18)21-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16;;/h1-14,20,22H;;1H2/q-1;+2;/p-1/b21-19-;;
InChIKeyYLLPONKXDOAUAQ-KSTMOPHVSA-M
MW378.29 g/mol
LogP2.16
Rot. Bonds4

About cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate

cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate (PubChem CID 71747155) has the molecular formula C20H17CoNO3 and a molecular weight of 378.29 g/mol. Its IUPAC name is cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate.

Molecular Properties

Compound Namecobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate
PubChem CID71747155
Molecular FormulaC20H17CoNO3
Molecular Weight378.29 g/mol
Exact Mass378.05
IUPAC Namecobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate
SMILESO.[Co+2].[O-]c1ccc(/N=C(/c2ccccc2)C([O-])c2ccccc2)cc1
InChIInChI=1S/C20H16NO2.Co.H2O/c22-18-13-11-17(12-14-18)21-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16;;/h1-14,20,22H;;1H2/q-1;+2;/p-1/b21-19-;;
InChIKeyYLLPONKXDOAUAQ-KSTMOPHVSA-M
XLogP2.16
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium N-phenylbenzenecarboximidate
CID 101478237
sodium N-hydroxybenzenecarboximidate
CID 141386787
(1R,2Z)-2-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanol
CID 7340294
tetrasodium;tetraphenoxide
CID 159915376
disodium diphenoxide
CID 15819849
sodium 4-nitrosophenolate
CID 23677962
sodium diphenylmethanolate
CID 22420719
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832
disodium;hydride;phenoxide
CID 173446882
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
diphenylmethanolate
CID 57466266
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate?
The IUPAC name of cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate (CID 71747155) is cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate.
What is the SMILES notation for cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate?
The canonical SMILES for cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate is O.[Co+2].[O-]c1ccc(/N=C(/c2ccccc2)C([O-])c2ccccc2)cc1.
What is the InChIKey of cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate?
The InChIKey is YLLPONKXDOAUAQ-KSTMOPHVSA-M. The full InChI is InChI=1S/C20H16NO2.Co.H2O/c22-18-13-11-17(12-14-18)21-19(15-7-3-1-4-8-15)20(23)16-9-5-2-6-10-16;;/h1-14,20,22H;;1H2/q-1;+2;/p-1/b21-19-;;.
What are the key properties of cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate?
cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate has a molecular weight of 378.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate is sourced from PubChem (CID 71747155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).