dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol

C14H13Cl2NOZr — CID 174611638

IUPACdichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
SMILESCc1cccc(/C=N/c2ccccc2)c1O.Cl[Zr]Cl
InChIInChI=1S/C14H13NO.2ClH.Zr/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13;;;/h2-10,16H,1H3;2*1H;/q;;;+2/p-2/b15-10+;;;
InChIKeyYLIBRFDQRWWFHR-RJQKUYQSSA-L
MW373.39 g/mol
LogP4.83
Rot. Bonds2

About dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol

dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol (PubChem CID 174611638) has the molecular formula C14H13Cl2NOZr and a molecular weight of 373.39 g/mol. Its IUPAC name is dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol.

Molecular Properties

Compound Namedichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
PubChem CID174611638
Molecular FormulaC14H13Cl2NOZr
Molecular Weight373.39 g/mol
Exact Mass370.94
IUPAC Namedichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
SMILESCc1cccc(/C=N/c2ccccc2)c1O.Cl[Zr]Cl
InChIInChI=1S/C14H13NO.2ClH.Zr/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13;;;/h2-10,16H,1H3;2*1H;/q;;;+2/p-2/b15-10+;;;
InChIKeyYLIBRFDQRWWFHR-RJQKUYQSSA-L
XLogP4.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
2-[(3-isocyanophenyl)iminomethyl]-6-methylphenol;tetrachloroniobium
CID 135997432
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-methyl-6-[(E)-pyrimidin-2-yliminomethyl]phenol;trichlorotantalum
CID 135967215
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol?
The IUPAC name of dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol (CID 174611638) is dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol.
What is the SMILES notation for dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol?
The canonical SMILES for dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol is Cc1cccc(/C=N/c2ccccc2)c1O.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol?
The InChIKey is YLIBRFDQRWWFHR-RJQKUYQSSA-L. The full InChI is InChI=1S/C14H13NO.2ClH.Zr/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13;;;/h2-10,16H,1H3;2*1H;/q;;;+2/p-2/b15-10+;;;.
What are the key properties of dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol?
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol has a molecular weight of 373.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol is sourced from PubChem (CID 174611638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).