dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol

C19H22Cl2N2O2Zr — CID 135997406

IUPACdichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/CCC/N=C/c2cccc(C)c2O)c1O.Cl[Zr]Cl
InChIInChI=1S/C19H22N2O2.2ClH.Zr/c1-14-6-3-8-16(18(14)22)12-20-10-5-11-21-13-17-9-4-7-15(2)19(17)23;;;/h3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;2*1H;/q;;;+2/p-2/b20-12+,21-13+;;;
InChIKeyVTZBZYJFPPDRLN-LSLBEZLLSA-L
MW472.53 g/mol
LogP5.02
Rot. Bonds6

About dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol

dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol (PubChem CID 135997406) has the molecular formula C19H22Cl2N2O2Zr and a molecular weight of 472.53 g/mol. Its IUPAC name is dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol.

Molecular Properties

Compound Namedichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
PubChem CID135997406
Molecular FormulaC19H22Cl2N2O2Zr
Molecular Weight472.53 g/mol
Exact Mass470.01
IUPAC Namedichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/CCC/N=C/c2cccc(C)c2O)c1O.Cl[Zr]Cl
InChIInChI=1S/C19H22N2O2.2ClH.Zr/c1-14-6-3-8-16(18(14)22)12-20-10-5-11-21-13-17-9-4-7-15(2)19(17)23;;;/h3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;2*1H;/q;;;+2/p-2/b20-12+,21-13+;;;
InChIKeyVTZBZYJFPPDRLN-LSLBEZLLSA-L
XLogP5.02
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 140501290
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
CID 136745314
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-tert-butyl-6-[6-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol;dichlorotitanium
CID 135979954
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
The IUPAC name of dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol (CID 135997406) is dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol.
What is the SMILES notation for dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
The canonical SMILES for dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol is Cc1cccc(/C=N/CCC/N=C/c2cccc(C)c2O)c1O.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
The InChIKey is VTZBZYJFPPDRLN-LSLBEZLLSA-L. The full InChI is InChI=1S/C19H22N2O2.2ClH.Zr/c1-14-6-3-8-16(18(14)22)12-20-10-5-11-21-13-17-9-4-7-15(2)19(17)23;;;/h3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;2*1H;/q;;;+2/p-2/b20-12+,21-13+;;;.
What are the key properties of dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol has a molecular weight of 472.53 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol is sourced from PubChem (CID 135997406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).