2-methyl-1H-indene;titanium(3+);trichloride

C10H10Cl3Ti — CID 157408587

IUPAC2-methyl-1H-indene;titanium(3+);trichloride
SMILESCC1=Cc2ccccc2C1.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H10.3ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2-6H,7H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyBOAAACFARVZGOT-UHFFFAOYSA-K
MW284.42 g/mol
LogP-6.34
Rot. Bonds

About 2-methyl-1H-indene;titanium(3+);trichloride

2-methyl-1H-indene;titanium(3+);trichloride (PubChem CID 157408587) has the molecular formula C10H10Cl3Ti and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-methyl-1H-indene;titanium(3+);trichloride.

Molecular Properties

Compound Name2-methyl-1H-indene;titanium(3+);trichloride
PubChem CID157408587
Molecular FormulaC10H10Cl3Ti
Molecular Weight284.42 g/mol
Exact Mass282.93
IUPAC Name2-methyl-1H-indene;titanium(3+);trichloride
SMILESCC1=Cc2ccccc2C1.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H10.3ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2-6H,7H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyBOAAACFARVZGOT-UHFFFAOYSA-K
XLogP-6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 5-6.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-indene;titanium(3+);trichloride?
The IUPAC name of 2-methyl-1H-indene;titanium(3+);trichloride (CID 157408587) is 2-methyl-1H-indene;titanium(3+);trichloride.
What is the SMILES notation for 2-methyl-1H-indene;titanium(3+);trichloride?
The canonical SMILES for 2-methyl-1H-indene;titanium(3+);trichloride is CC1=Cc2ccccc2C1.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-methyl-1H-indene;titanium(3+);trichloride?
The InChIKey is BOAAACFARVZGOT-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H10.3ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2-6H,7H2,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-methyl-1H-indene;titanium(3+);trichloride?
2-methyl-1H-indene;titanium(3+);trichloride has a molecular weight of 284.42 g/mol, XLogP of -6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-indene;titanium(3+);trichloride is sourced from PubChem (CID 157408587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).