dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide

C22H25Cl2Zr- — CID 87884080

IUPACdichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
SMILESCCCc1cc2c(-c3ccccc3C(C)C)c(C)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C22H25.2ClH.Zr/c1-5-8-17-13-18-12-11-16(4)22(21(18)14-17)20-10-7-6-9-19(20)15(2)3;;;/h6-7,9-15H,5,8H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyFXWKALFLOMPOFF-UHFFFAOYSA-L
MW451.57 g/mol
LogP7.99
Rot. Bonds4

About dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide

dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide (PubChem CID 87884080) has the molecular formula C22H25Cl2Zr- and a molecular weight of 451.57 g/mol. Its IUPAC name is dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
PubChem CID87884080
Molecular FormulaC22H25Cl2Zr-
Molecular Weight451.57 g/mol
Exact Mass449.04
IUPAC Namedichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
SMILESCCCc1cc2c(-c3ccccc3C(C)C)c(C)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C22H25.2ClH.Zr/c1-5-8-17-13-18-12-11-16(4)22(21(18)14-17)20-10-7-6-9-19(20)15(2)3;;;/h6-7,9-15H,5,8H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyFXWKALFLOMPOFF-UHFFFAOYSA-L
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 57.99
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;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884069
CID 173178397
CID 173178397
CID 173178098
CID 173178098
dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
CID 87884211
CID 173178817
CID 173178817
4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-2-propyl-1H-inden-1-ide;dichlorozirconium
CID 87884094
CID 173178839
CID 173178839
dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
CID 174389435
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide;dichlorozirconium
CID 87884167
CID 173177810
CID 173177810
CID 173178220
CID 173178220
CID 173178182
CID 173178182

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide (CID 87884080) is dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide is CCCc1cc2c(-c3ccccc3C(C)C)c(C)ccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
The InChIKey is FXWKALFLOMPOFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H25.2ClH.Zr/c1-5-8-17-13-18-12-11-16(4)22(21(18)14-17)20-10-7-6-9-19(20)15(2)3;;;/h6-7,9-15H,5,8H2,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide has a molecular weight of 451.57 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide is sourced from PubChem (CID 87884080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).