2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride

C15H25ClOZr — CID 87931050

IUPAC2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl.[Zr]
InChIInChI=1S/C15H24O.ClH.Zr/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;;/h8-9,16H,1-7H3;1H;
InChIKeyLHGBWYLFLIHAOS-UHFFFAOYSA-N
MW348.04 g/mol
LogP4.71
Rot. Bonds

About 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride

2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride (PubChem CID 87931050) has the molecular formula C15H25ClOZr and a molecular weight of 348.04 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
PubChem CID87931050
Molecular FormulaC15H25ClOZr
Molecular Weight348.04 g/mol
Exact Mass346.06
IUPAC Name2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl.[Zr]
InChIInChI=1S/C15H24O.ClH.Zr/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;;/h8-9,16H,1-7H3;1H;
InChIKeyLHGBWYLFLIHAOS-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
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
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride?
The IUPAC name of 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride (CID 87931050) is 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride.
What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride?
The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride is Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl.[Zr].
What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride?
The InChIKey is LHGBWYLFLIHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.ClH.Zr/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;;/h8-9,16H,1-7H3;1H;.
What are the key properties of 2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride?
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride has a molecular weight of 348.04 g/mol, XLogP of 4.71, 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;zirconium;hydrochloride is sourced from PubChem (CID 87931050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).