dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol

C14H13Cl2NOZr — CID 135967343

IUPACdichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol
SMILESCc1ccc(O)c(/C=N/c2ccccc2)c1.Cl[Zr]Cl
InChIInChI=1S/C14H13NO.2ClH.Zr/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13;;;/h2-10,16H,1H3;2*1H;/q;;;+2/p-2/b15-10+;;;
InChIKeyFXGVZLXHCGWSMS-RJQKUYQSSA-L
MW373.39 g/mol
LogP4.83
Rot. Bonds2

About dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol

dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol (PubChem CID 135967343) has the molecular formula C14H13Cl2NOZr and a molecular weight of 373.39 g/mol. Its IUPAC name is dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol.

Molecular Properties

Compound Namedichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol
PubChem CID135967343
Molecular FormulaC14H13Cl2NOZr
Molecular Weight373.39 g/mol
Exact Mass370.94
IUPAC Namedichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol
SMILESCc1ccc(O)c(/C=N/c2ccccc2)c1.Cl[Zr]Cl
InChIInChI=1S/C14H13NO.2ClH.Zr/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13;;;/h2-10,16H,1H3;2*1H;/q;;;+2/p-2/b15-10+;;;
InChIKeyFXGVZLXHCGWSMS-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'}

Analyze dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-salicylidene-o-aminophenol
CID 74479
Salicylideneaniline
CID 136621
4-Benzylideneaminophenol
CID 11501
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
N,N'-bis(salicylidene)-1,2-phenylenediamine
CID 221227
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
4,4'-(Phenylcarbonimidoyl)diphenol
CID 136046127
Alpha-(4-hydroxyphenylimino)-P-cresol
CID 473148
Alpha-(2-chlorophenylimino)-ortho-cresol
CID 137851
N,N'-Bis(2-hydroxybenzylidene)-1,4-phenylenediamine
CID 219626
Alpha-(4-cyanophenylimino)-O-cresol
CID 273755
Mls002920165
CID 280649

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol?
The IUPAC name of dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol (CID 135967343) is dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol.
What is the SMILES notation for dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol?
The canonical SMILES for dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol is Cc1ccc(O)c(/C=N/c2ccccc2)c1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol?
The InChIKey is FXGVZLXHCGWSMS-RJQKUYQSSA-L. The full InChI is InChI=1S/C14H13NO.2ClH.Zr/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13;;;/h2-10,16H,1H3;2*1H;/q;;;+2/p-2/b15-10+;;;.
What are the key properties of dichlorozirconium;4-methyl-2-(phenyliminomethyl)phenol?
dichlorozirconium;4-methyl-2-(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;4-methyl-2-(phenyliminomethyl)phenol is sourced from PubChem (CID 135967343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).