lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide

C18H17Li — CID 22023088

IUPAClithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide
SMILESCc1cc(C)cc(-c2cccc3[cH-]c(C)cc23)c1.[Li+]
InChIInChI=1S/C18H17.Li/c1-12-7-13(2)10-16(9-12)17-6-4-5-15-8-14(3)11-18(15)17;/h4-11H,1-3H3;/q-1;+1
InChIKeyPNULQWFHNXOKNT-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.15
Rot. Bonds1

About lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide

lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide (PubChem CID 22023088) has the molecular formula C18H17Li and a molecular weight of 240.27 g/mol. Its IUPAC name is lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide.

Molecular Properties

Compound Namelithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide
PubChem CID22023088
Molecular FormulaC18H17Li
Molecular Weight240.27 g/mol
Exact Mass240.15
IUPAC Namelithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide
SMILESCc1cc(C)cc(-c2cccc3[cH-]c(C)cc23)c1.[Li+]
InChIInChI=1S/C18H17.Li/c1-12-7-13(2)10-16(9-12)17-6-4-5-15-8-14(3)11-18(15)17;/h4-11H,1-3H3;/q-1;+1
InChIKeyPNULQWFHNXOKNT-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.15
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

4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 175331642
CID 173003570
CID 173003570
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
CID 173228625
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173098268
CID 173098268
4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium
CID 154511524
CID 173284099
CID 173284099
4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 158605448
CID 173168918
CID 173168918
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879324

Frequently Asked Questions

What is the IUPAC name of lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide?
The IUPAC name of lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide (CID 22023088) is lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide.
What is the SMILES notation for lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide?
The canonical SMILES for lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide is Cc1cc(C)cc(-c2cccc3[cH-]c(C)cc23)c1.[Li+].
What is the InChIKey of lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide?
The InChIKey is PNULQWFHNXOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17.Li/c1-12-7-13(2)10-16(9-12)17-6-4-5-15-8-14(3)11-18(15)17;/h4-11H,1-3H3;/q-1;+1.
What are the key properties of lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide?
lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide has a molecular weight of 240.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide is sourced from PubChem (CID 22023088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).