2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate

C16H16ClCrN2O7- — CID 135406501

IUPAC2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
SMILESO=[Cr].Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C16H16N2O2.ClHO4.Cr.O/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2-1(3,4)5;;/h1-8,11-12,19-20H,9-10H2;(H,2,3,4,5);;/p-1/b17-11+,18-12+;;;
InChIKeyXYTTUYWVDFEYQS-MCRPVJKSSA-M
MW435.76 g/mol
LogP-2.24
Rot. Bonds5

About 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate (PubChem CID 135406501) has the molecular formula C16H16ClCrN2O7- and a molecular weight of 435.76 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate.

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
PubChem CID135406501
Molecular FormulaC16H16ClCrN2O7-
Molecular Weight435.76 g/mol
Exact Mass435.01
IUPAC Name2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
SMILESO=[Cr].Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C16H16N2O2.ClHO4.Cr.O/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2-1(3,4)5;;/h1-8,11-12,19-20H,9-10H2;(H,2,3,4,5);;/p-1/b17-11+,18-12+;;;
InChIKeyXYTTUYWVDFEYQS-MCRPVJKSSA-M
XLogP-2.24
TPSA174.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate (CID 135406501) is 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate.
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate is O=[Cr].Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate?
The InChIKey is XYTTUYWVDFEYQS-MCRPVJKSSA-M. The full InChI is InChI=1S/C16H16N2O2.ClHO4.Cr.O/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2-1(3,4)5;;/h1-8,11-12,19-20H,9-10H2;(H,2,3,4,5);;/p-1/b17-11+,18-12+;;;.
What are the key properties of 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate?
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate has a molecular weight of 435.76 g/mol, XLogP of -2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate is sourced from PubChem (CID 135406501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).