copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide

C21H19CuN3O2- — CID 5252203

IUPACcopper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide
SMILESC1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.OCCN=Cc1ccccc1O.[Cu+]
InChIInChI=1S/C12H8N2.C9H11NO2.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-6-5-10-7-8-3-1-2-4-9(8)12;/h1-8H;1-4,7,11-12H,5-6H2;/q-2;;+1
InChIKeyCROBDZQZGBLXIN-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.11
Rot. Bonds3

About copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide

copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide (PubChem CID 5252203) has the molecular formula C21H19CuN3O2- and a molecular weight of 408.95 g/mol. Its IUPAC name is copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide.

Molecular Properties

Compound Namecopper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide
PubChem CID5252203
Molecular FormulaC21H19CuN3O2-
Molecular Weight408.95 g/mol
Exact Mass408.08
IUPAC Namecopper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide
SMILESC1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.OCCN=Cc1ccccc1O.[Cu+]
InChIInChI=1S/C12H8N2.C9H11NO2.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-6-5-10-7-8-3-1-2-4-9(8)12;/h1-8H;1-4,7,11-12H,5-6H2;/q-2;;+1
InChIKeyCROBDZQZGBLXIN-UHFFFAOYSA-N
XLogP3.11
TPSA81.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
copper;bis(1,10-phenanthroline-1,10-diide);hydrate
CID 5245731

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide?
The IUPAC name of copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide (CID 5252203) is copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide.
What is the SMILES notation for copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide?
The canonical SMILES for copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide is C1=C[N-]c2c3c(ccc2=C1)=CC=C[N-]3.OCCN=Cc1ccccc1O.[Cu+].
What is the InChIKey of copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide?
The InChIKey is CROBDZQZGBLXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C9H11NO2.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-6-5-10-7-8-3-1-2-4-9(8)12;/h1-8H;1-4,7,11-12H,5-6H2;/q-2;;+1.
What are the key properties of copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide?
copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide has a molecular weight of 408.95 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide is sourced from PubChem (CID 5252203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).