bis(naphthalen-1-ol);titanium(2+);dichloride

C20H16Cl2O2Ti — CID 21243627

IUPACbis(naphthalen-1-ol);titanium(2+);dichloride
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/2C10H8O.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11H;2*1H;/q;;;;+2/p-2
InChIKeyAJOKNJOTNUSGJI-UHFFFAOYSA-L
MW407.12 g/mol
LogP-0.90
Rot. Bonds

About bis(naphthalen-1-ol);titanium(2+);dichloride

bis(naphthalen-1-ol);titanium(2+);dichloride (PubChem CID 21243627) has the molecular formula C20H16Cl2O2Ti and a molecular weight of 407.12 g/mol. Its IUPAC name is bis(naphthalen-1-ol);titanium(2+);dichloride.

Molecular Properties

Compound Namebis(naphthalen-1-ol);titanium(2+);dichloride
PubChem CID21243627
Molecular FormulaC20H16Cl2O2Ti
Molecular Weight407.12 g/mol
Exact Mass406.00
IUPAC Namebis(naphthalen-1-ol);titanium(2+);dichloride
SMILESOc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/2C10H8O.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11H;2*1H;/q;;;;+2/p-2
InChIKeyAJOKNJOTNUSGJI-UHFFFAOYSA-L
XLogP-0.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(naphthalen-1-ol);titanium(2+);dichloride?
The IUPAC name of bis(naphthalen-1-ol);titanium(2+);dichloride (CID 21243627) is bis(naphthalen-1-ol);titanium(2+);dichloride.
What is the SMILES notation for bis(naphthalen-1-ol);titanium(2+);dichloride?
The canonical SMILES for bis(naphthalen-1-ol);titanium(2+);dichloride is Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of bis(naphthalen-1-ol);titanium(2+);dichloride?
The InChIKey is AJOKNJOTNUSGJI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8O.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h2*1-7,11H;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(naphthalen-1-ol);titanium(2+);dichloride?
bis(naphthalen-1-ol);titanium(2+);dichloride has a molecular weight of 407.12 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalen-1-ol);titanium(2+);dichloride is sourced from PubChem (CID 21243627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).