cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol

C22H27CoN2O4- — CID 135467854

IUPACcobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol
SMILESOCCOC[CH-]CCC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Co]
InChIInChI=1S/C22H27N2O4.Co/c25-12-14-28-13-6-5-9-20(24-16-19-8-2-4-11-22(19)27)17-23-15-18-7-1-3-10-21(18)26;/h1-4,6-8,10-11,15-16,20,25-27H,5,9,12-14,17H2;/q-1;/b23-15+,24-16+;
InChIKeyWYBSFFKXPASNLX-XGPVMEEKSA-N
MW442.40 g/mol
LogP3.00
Rot. Bonds12

About cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol

cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol (PubChem CID 135467854) has the molecular formula C22H27CoN2O4- and a molecular weight of 442.40 g/mol. Its IUPAC name is cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol.

Molecular Properties

Compound Namecobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol
PubChem CID135467854
Molecular FormulaC22H27CoN2O4-
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Namecobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol
SMILESOCCOC[CH-]CCC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Co]
InChIInChI=1S/C22H27N2O4.Co/c25-12-14-28-13-6-5-9-20(24-16-19-8-2-4-11-22(19)27)17-23-15-18-7-1-3-10-21(18)26;/h1-4,6-8,10-11,15-16,20,25-27H,5,9,12-14,17H2;/q-1;/b23-15+,24-16+;
InChIKeyWYBSFFKXPASNLX-XGPVMEEKSA-N
XLogP3.00
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol?
The IUPAC name of cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol (CID 135467854) is cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol.
What is the SMILES notation for cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol?
The canonical SMILES for cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol is OCCOC[CH-]CCC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Co].
What is the InChIKey of cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol?
The InChIKey is WYBSFFKXPASNLX-XGPVMEEKSA-N. The full InChI is InChI=1S/C22H27N2O4.Co/c25-12-14-28-13-6-5-9-20(24-16-19-8-2-4-11-22(19)27)17-23-15-18-7-1-3-10-21(18)26;/h1-4,6-8,10-11,15-16,20,25-27H,5,9,12-14,17H2;/q-1;/b23-15+,24-16+;.
What are the key properties of cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol?
cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol has a molecular weight of 442.40 g/mol, XLogP of 3.00, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol is sourced from PubChem (CID 135467854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).