phenylmethylbenzene;titanium(3+);dichloride

C13H11Cl2Ti — CID 175029048

IUPACphenylmethylbenzene;titanium(3+);dichloride
SMILES[Cl-].[Cl-].[Ti+3].c1ccc([CH-]c2ccccc2)cc1
InChIInChI=1S/C13H11.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-11H;2*1H;/q-1;;;+3/p-2
InChIKeyJVDQNLHTIJABRE-UHFFFAOYSA-L
MW286.00 g/mol
LogP-2.71
Rot. Bonds2

About phenylmethylbenzene;titanium(3+);dichloride

phenylmethylbenzene;titanium(3+);dichloride (PubChem CID 175029048) has the molecular formula C13H11Cl2Ti and a molecular weight of 286.00 g/mol. Its IUPAC name is phenylmethylbenzene;titanium(3+);dichloride.

Molecular Properties

Compound Namephenylmethylbenzene;titanium(3+);dichloride
PubChem CID175029048
Molecular FormulaC13H11Cl2Ti
Molecular Weight286.00 g/mol
Exact Mass284.97
IUPAC Namephenylmethylbenzene;titanium(3+);dichloride
SMILES[Cl-].[Cl-].[Ti+3].c1ccc([CH-]c2ccccc2)cc1
InChIInChI=1S/C13H11.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-11H;2*1H;/q-1;;;+3/p-2
InChIKeyJVDQNLHTIJABRE-UHFFFAOYSA-L
XLogP-2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 5-2.71
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

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Frequently Asked Questions

What is the IUPAC name of phenylmethylbenzene;titanium(3+);dichloride?
The IUPAC name of phenylmethylbenzene;titanium(3+);dichloride (CID 175029048) is phenylmethylbenzene;titanium(3+);dichloride.
What is the SMILES notation for phenylmethylbenzene;titanium(3+);dichloride?
The canonical SMILES for phenylmethylbenzene;titanium(3+);dichloride is [Cl-].[Cl-].[Ti+3].c1ccc([CH-]c2ccccc2)cc1.
What is the InChIKey of phenylmethylbenzene;titanium(3+);dichloride?
The InChIKey is JVDQNLHTIJABRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H11.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-11H;2*1H;/q-1;;;+3/p-2.
What are the key properties of phenylmethylbenzene;titanium(3+);dichloride?
phenylmethylbenzene;titanium(3+);dichloride has a molecular weight of 286.00 g/mol, XLogP of -2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethylbenzene;titanium(3+);dichloride is sourced from PubChem (CID 175029048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).