2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate

C17H18ClCrN2O7- — CID 135501072

IUPAC2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
SMILESO=[Cr].Oc1ccccc1/C=N\CCC/N=C/c1ccccc1O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H18N2O2.ClHO4.Cr.O/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21;2-1(3,4)5;;/h1-4,6-9,12-13,20-21H,5,10-11H2;(H,2,3,4,5);;/p-1/b18-12-,19-13+;;;
InChIKeyKIJJAXAQKGVRAS-MWPTWBDRSA-M
MW449.79 g/mol
LogP-1.85
Rot. Bonds6

About 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate

2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate (PubChem CID 135501072) has the molecular formula C17H18ClCrN2O7- and a molecular weight of 449.79 g/mol. Its IUPAC name is 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate.

Molecular Properties

Compound Name2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
PubChem CID135501072
Molecular FormulaC17H18ClCrN2O7-
Molecular Weight449.79 g/mol
Exact Mass449.02
IUPAC Name2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
SMILESO=[Cr].Oc1ccccc1/C=N\CCC/N=C/c1ccccc1O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C17H18N2O2.ClHO4.Cr.O/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21;2-1(3,4)5;;/h1-4,6-9,12-13,20-21H,5,10-11H2;(H,2,3,4,5);;/p-1/b18-12-,19-13+;;;
InChIKeyKIJJAXAQKGVRAS-MWPTWBDRSA-M
XLogP-1.85
TPSA174.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.79
LogP ≤ 5-1.85
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-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
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
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878
2-(3-methylselanylpropyliminomethyl)phenol
CID 136817271

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate?
The IUPAC name of 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate (CID 135501072) is 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate.
What is the SMILES notation for 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate?
The canonical SMILES for 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate is O=[Cr].Oc1ccccc1/C=N\CCC/N=C/c1ccccc1O.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate?
The InChIKey is KIJJAXAQKGVRAS-MWPTWBDRSA-M. The full InChI is InChI=1S/C17H18N2O2.ClHO4.Cr.O/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21;2-1(3,4)5;;/h1-4,6-9,12-13,20-21H,5,10-11H2;(H,2,3,4,5);;/p-1/b18-12-,19-13+;;;.
What are the key properties of 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate?
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate has a molecular weight of 449.79 g/mol, XLogP of -1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate is sourced from PubChem (CID 135501072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).