bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride

C24H36Cl2O2Ti — CID 87638376

IUPACbis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/2C12H18O.2ClH.Ti/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9,13H,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyGLYMRKBBJJLVNJ-UHFFFAOYSA-L
MW475.32 g/mol
LogP1.28
Rot. Bonds4

About bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride

bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride (PubChem CID 87638376) has the molecular formula C24H36Cl2O2Ti and a molecular weight of 475.32 g/mol. Its IUPAC name is bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride.

Molecular Properties

Compound Namebis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
PubChem CID87638376
Molecular FormulaC24H36Cl2O2Ti
Molecular Weight475.32 g/mol
Exact Mass474.16
IUPAC Namebis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/2C12H18O.2ClH.Ti/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9,13H,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyGLYMRKBBJJLVNJ-UHFFFAOYSA-L
XLogP1.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
2-bromo-6-propan-2-ylphenol
CID 14663965
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
CID 11210933
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
CID 175693069
CID 6389258
CID 6389258
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418

Frequently Asked Questions

What is the IUPAC name of bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride?
The IUPAC name of bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride (CID 87638376) is bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride.
What is the SMILES notation for bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride?
The canonical SMILES for bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride is CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride?
The InChIKey is GLYMRKBBJJLVNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.2ClH.Ti/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9,13H,1-4H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride?
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride has a molecular weight of 475.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride is sourced from PubChem (CID 87638376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).