dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide

C17H15Cl2Zr- — CID 173228625

IUPACdichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
SMILESCc1ccc(-c2cccc3[cH-]c(C)cc23)cc1.Cl[Zr]Cl
InChIInChI=1S/C17H15.2ClH.Zr/c1-12-6-8-14(9-7-12)16-5-3-4-15-10-13(2)11-17(15)16;;;/h3-11H,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyKYBMWHYNKCKRQZ-UHFFFAOYSA-L
MW381.44 g/mol
LogP6.22
Rot. Bonds1

About dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide

dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide (PubChem CID 173228625) has the molecular formula C17H15Cl2Zr- and a molecular weight of 381.44 g/mol. Its IUPAC name is dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
PubChem CID173228625
Molecular FormulaC17H15Cl2Zr-
Molecular Weight381.44 g/mol
Exact Mass378.96
IUPAC Namedichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
SMILESCc1ccc(-c2cccc3[cH-]c(C)cc23)cc1.Cl[Zr]Cl
InChIInChI=1S/C17H15.2ClH.Zr/c1-12-6-8-14(9-7-12)16-5-3-4-15-10-13(2)11-17(15)16;;;/h3-11H,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyKYBMWHYNKCKRQZ-UHFFFAOYSA-L
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.22
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

dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide
CID 140997786
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173098253
CID 173098253
lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide
CID 22023088
CID 173003570
CID 173003570
CID 173284099
CID 173284099
4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 175331642
CID 87931857
CID 87931857
4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879324
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide (CID 173228625) is dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide is Cc1ccc(-c2cccc3[cH-]c(C)cc23)cc1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide?
The InChIKey is KYBMWHYNKCKRQZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H15.2ClH.Zr/c1-12-6-8-14(9-7-12)16-5-3-4-15-10-13(2)11-17(15)16;;;/h3-11H,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide?
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide has a molecular weight of 381.44 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide is sourced from PubChem (CID 173228625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).