2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride

C17H15Cl2Zr — CID 162036346

IUPAC2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCc1cc2c(-c3ccccc3C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C17H15.2ClH.Zr/c1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;;;/h3-11H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyWOTMAGCFGFTCHM-UHFFFAOYSA-L
MW381.44 g/mol
LogP-1.15
Rot. Bonds1

About 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride

2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 162036346) has the molecular formula C17H15Cl2Zr and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID162036346
Molecular FormulaC17H15Cl2Zr
Molecular Weight381.44 g/mol
Exact Mass378.96
IUPAC Name2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCc1cc2c(-c3ccccc3C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C17H15.2ClH.Zr/c1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;;;/h3-11H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyWOTMAGCFGFTCHM-UHFFFAOYSA-L
XLogP-1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
CID 173063837
CID 173063837
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173161432
CID 173161432
CID 159922030
CID 159922030
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173168918
CID 173168918
CID 173314324
CID 173314324
CID 173284099
CID 173284099
4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 158605448
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride (CID 162036346) is 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride is Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is WOTMAGCFGFTCHM-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H15.2ClH.Zr/c1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;;;/h3-11H,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride?
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 381.44 g/mol, XLogP of -1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 162036346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).