3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium

C17H15Zr- — CID 174959119

IUPAC3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium
SMILESCc1cc(C)cc(-c2c[cH-]c3ccccc23)c1.[Zr]
InChIInChI=1S/C17H15.Zr/c1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)17;/h3-11H,1-2H3;/q-1;
InChIKeyOLDJCYPHHKQZSX-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.84
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium

3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium (PubChem CID 174959119) has the molecular formula C17H15Zr- and a molecular weight of 310.53 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium
PubChem CID174959119
Molecular FormulaC17H15Zr-
Molecular Weight310.53 g/mol
Exact Mass309.02
IUPAC Name3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium
SMILESCc1cc(C)cc(-c2c[cH-]c3ccccc23)c1.[Zr]
InChIInChI=1S/C17H15.Zr/c1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)17;/h3-11H,1-2H3;/q-1;
InChIKeyOLDJCYPHHKQZSX-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.84
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

3-(4-tert-butylphenyl)-1H-inden-1-ide;zirconium
CID 152512342
CID 140645420
CID 140645420
3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 175756719
5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
CID 59282192
4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 175331642
CID 140645388
CID 140645388
bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18474436
hafnium;3-methyl-1H-inden-1-ide;dichloride
CID 89420354
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
3-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 161471884
CID 90234069
CID 90234069
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium?
The IUPAC name of 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium (CID 174959119) is 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium is Cc1cc(C)cc(-c2c[cH-]c3ccccc23)c1.[Zr].
What is the InChIKey of 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium?
The InChIKey is OLDJCYPHHKQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15.Zr/c1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)17;/h3-11H,1-2H3;/q-1;.
What are the key properties of 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium?
3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium has a molecular weight of 310.53 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1H-inden-1-ide;zirconium is sourced from PubChem (CID 174959119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).