2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride

C15H24Cl2OTi — CID 87485865

IUPAC2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H24O.2ClH.Ti/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;;;/h8-9,16H,1-7H3;2*1H;/q;;;+2/p-2
InChIKeyHZTFJVATOSZNJO-UHFFFAOYSA-L
MW339.13 g/mol
LogP-1.70
Rot. Bonds

About 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride

2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride (PubChem CID 87485865) has the molecular formula C15H24Cl2OTi and a molecular weight of 339.13 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
PubChem CID87485865
Molecular FormulaC15H24Cl2OTi
Molecular Weight339.13 g/mol
Exact Mass338.07
IUPAC Name2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H24O.2ClH.Ti/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;;;/h8-9,16H,1-7H3;2*1H;/q;;;+2/p-2
InChIKeyHZTFJVATOSZNJO-UHFFFAOYSA-L
XLogP-1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride?
The IUPAC name of 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride (CID 87485865) is 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride.
What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride?
The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride is Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride?
The InChIKey is HZTFJVATOSZNJO-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H24O.2ClH.Ti/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;;;/h8-9,16H,1-7H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride?
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride has a molecular weight of 339.13 g/mol, XLogP of -1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride is sourced from PubChem (CID 87485865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).