cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

C31H26CoN2O5 — CID 135405100

IUPACcobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESO=c1c(O)c(-c2ccccc2)oc2ccccc12.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Co]
InChIInChI=1S/C16H16N2O2.C15H10O3.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;/h1-8,11-12,19-20H,9-10H2;1-9,17H;/b17-11+,18-12+;;
InChIKeyUGZYVIOTSMFBOX-SNTCFBDDSA-N
MW565.49 g/mol
LogP5.80
Rot. Bonds6

About cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 135405100) has the molecular formula C31H26CoN2O5 and a molecular weight of 565.49 g/mol. Its IUPAC name is cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Namecobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID135405100
Molecular FormulaC31H26CoN2O5
Molecular Weight565.49 g/mol
Exact Mass565.12
IUPAC Namecobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESO=c1c(O)c(-c2ccccc2)oc2ccccc12.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Co]
InChIInChI=1S/C16H16N2O2.C15H10O3.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;/h1-8,11-12,19-20H,9-10H2;1-9,17H;/b17-11+,18-12+;;
InChIKeyUGZYVIOTSMFBOX-SNTCFBDDSA-N
XLogP5.80
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.49
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[4-[bis(2-hydroxyethyl)amino]phenyl]-3-hydroxychromen-4-one
CID 101427605
3-hydroxy-2-naphthalen-2-ylchromen-4-one
CID 10085495

Frequently Asked Questions

What is the IUPAC name of cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 135405100) is cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is O=c1c(O)c(-c2ccccc2)oc2ccccc12.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Co].
What is the InChIKey of cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is UGZYVIOTSMFBOX-SNTCFBDDSA-N. The full InChI is InChI=1S/C16H16N2O2.C15H10O3.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;/h1-8,11-12,19-20H,9-10H2;1-9,17H;/b17-11+,18-12+;;.
What are the key properties of cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 565.49 g/mol, XLogP of 5.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 135405100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).