2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium

C24H34Cl2O2Ti — CID 11027093

IUPAC2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
SMILESCc1cc(CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cl[Ti]Cl
InChIInChI=1S/C24H34O2.2ClH.Ti/c1-15-11-17(21(25)19(13-15)23(3,4)5)9-10-18-12-16(2)14-20(22(18)26)24(6,7)8;;;/h11-14,25-26H,9-10H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyROAICVKIPNGXAB-UHFFFAOYSA-L
MW473.31 g/mol
LogP7.47
Rot. Bonds3

About 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium

2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium (PubChem CID 11027093) has the molecular formula C24H34Cl2O2Ti and a molecular weight of 473.31 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
PubChem CID11027093
Molecular FormulaC24H34Cl2O2Ti
Molecular Weight473.31 g/mol
Exact Mass472.14
IUPAC Name2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
SMILESCc1cc(CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cl[Ti]Cl
InChIInChI=1S/C24H34O2.2ClH.Ti/c1-15-11-17(21(25)19(13-15)23(3,4)5)9-10-18-12-16(2)14-20(22(18)26)24(6,7)8;;;/h11-14,25-26H,9-10H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyROAICVKIPNGXAB-UHFFFAOYSA-L
XLogP7.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.31
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;dichlorotitanium
CID 85407072
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
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-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
CID 166786762

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium?
The IUPAC name of 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium (CID 11027093) is 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium.
What is the SMILES notation for 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium?
The canonical SMILES for 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium is Cc1cc(CCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cl[Ti]Cl.
What is the InChIKey of 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium?
The InChIKey is ROAICVKIPNGXAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H34O2.2ClH.Ti/c1-15-11-17(21(25)19(13-15)23(3,4)5)9-10-18-12-16(2)14-20(22(18)26)24(6,7)8;;;/h11-14,25-26H,9-10H2,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium?
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium has a molecular weight of 473.31 g/mol, XLogP of 7.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium is sourced from PubChem (CID 11027093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).