2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride

C17H15Cl2Zr — CID 22485940

IUPAC2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C17H15.2ClH.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;/h3-12H,2H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyVXCQPLGFNUQHOD-UHFFFAOYSA-L
MW381.44 g/mol
LogP-1.21
Rot. Bonds2

About 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride

2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 22485940) has the molecular formula C17H15Cl2Zr and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID22485940
Molecular FormulaC17H15Cl2Zr
Molecular Weight381.44 g/mol
Exact Mass378.96
IUPAC Name2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C17H15.2ClH.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;/h3-12H,2H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyVXCQPLGFNUQHOD-UHFFFAOYSA-L
XLogP-1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride (CID 22485940) is 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is VXCQPLGFNUQHOD-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H15.2ClH.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;/h3-12H,2H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride?
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 381.44 g/mol, XLogP of -1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 22485940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).