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

C18H17Cl2Zr- — CID 140997786

IUPACdichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide
SMILESCCc1ccc(-c2cccc3[cH-]c(C)cc23)cc1.Cl[Zr]Cl
InChIInChI=1S/C18H17.2ClH.Zr/c1-3-14-7-9-15(10-8-14)17-6-4-5-16-11-13(2)12-18(16)17;;;/h4-12H,3H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyALAHJOZLJKRGEV-UHFFFAOYSA-L
MW395.46 g/mol
LogP6.47
Rot. Bonds2

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

dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide (PubChem CID 140997786) has the molecular formula C18H17Cl2Zr- and a molecular weight of 395.46 g/mol. Its IUPAC name is dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide
PubChem CID140997786
Molecular FormulaC18H17Cl2Zr-
Molecular Weight395.46 g/mol
Exact Mass392.98
IUPAC Namedichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide
SMILESCCc1ccc(-c2cccc3[cH-]c(C)cc23)cc1.Cl[Zr]Cl
InChIInChI=1S/C18H17.2ClH.Zr/c1-3-14-7-9-15(10-8-14)17-6-4-5-16-11-13(2)12-18(16)17;;;/h4-12H,3H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyALAHJOZLJKRGEV-UHFFFAOYSA-L
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.47
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-(4-methylphenyl)-1H-inden-1-ide
CID 173228625
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
4-(4-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 142736081
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173098253
CID 173098253
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173111924
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 174390644
CID 87935613
CID 87935613
CID 173314158
CID 173314158
CID 173284099
CID 173284099

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide (CID 140997786) is dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide is CCc1ccc(-c2cccc3[cH-]c(C)cc23)cc1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide?
The InChIKey is ALAHJOZLJKRGEV-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H17.2ClH.Zr/c1-3-14-7-9-15(10-8-14)17-6-4-5-16-11-13(2)12-18(16)17;;;/h4-12H,3H2,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide?
dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide has a molecular weight of 395.46 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide is sourced from PubChem (CID 140997786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).