2,4-ditert-butyl-6-phenylphenol;titanium

C20H26OTi — CID 175919247

IUPAC2,4-ditert-butyl-6-phenylphenol;titanium
SMILESCC(C)(C)c1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1.[Ti]
InChIInChI=1S/C20H26O.Ti/c1-19(2,3)15-12-16(14-10-8-7-9-11-14)18(21)17(13-15)20(4,5)6;/h7-13,21H,1-6H3;
InChIKeyYHTJAFDGVCFARD-UHFFFAOYSA-N
MW330.29 g/mol
LogP5.65
Rot. Bonds1

About 2,4-ditert-butyl-6-phenylphenol;titanium

2,4-ditert-butyl-6-phenylphenol;titanium (PubChem CID 175919247) has the molecular formula C20H26OTi and a molecular weight of 330.29 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-phenylphenol;titanium.

Molecular Properties

Compound Name2,4-ditert-butyl-6-phenylphenol;titanium
PubChem CID175919247
Molecular FormulaC20H26OTi
Molecular Weight330.29 g/mol
Exact Mass330.15
IUPAC Name2,4-ditert-butyl-6-phenylphenol;titanium
SMILESCC(C)(C)c1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1.[Ti]
InChIInChI=1S/C20H26O.Ti/c1-19(2,3)15-12-16(14-10-8-7-9-11-14)18(21)17(13-15)20(4,5)6;/h7-13,21H,1-6H3;
InChIKeyYHTJAFDGVCFARD-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.29
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
4-tert-butyl-2-[5-tert-butyl-2-hydroxy-3-[hydroxy(diphenyl)methyl]phenyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 122373316
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol;2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylsulfanyl]ethylsulfanylmethyl]phenol;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]phenol;2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylsulfanyl]propylsulfanylmethyl]phenol
CID 159527588
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 176593542
2,5-ditert-butyl-4-phenylphenol
CID 14592702
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
3,5-ditert-butyl-2-phenylphenol;titanium(2+);dichloride
CID 174365709
4-tert-butyl-2-(3-tert-butyl-8,8-dimethyl-7-oxabicyclo[4.2.0]octa-1,3,5-trien-5-yl)-6-phenylphenol
CID 123167940

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-phenylphenol;titanium?
The IUPAC name of 2,4-ditert-butyl-6-phenylphenol;titanium (CID 175919247) is 2,4-ditert-butyl-6-phenylphenol;titanium.
What is the SMILES notation for 2,4-ditert-butyl-6-phenylphenol;titanium?
The canonical SMILES for 2,4-ditert-butyl-6-phenylphenol;titanium is CC(C)(C)c1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1.[Ti].
What is the InChIKey of 2,4-ditert-butyl-6-phenylphenol;titanium?
The InChIKey is YHTJAFDGVCFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O.Ti/c1-19(2,3)15-12-16(14-10-8-7-9-11-14)18(21)17(13-15)20(4,5)6;/h7-13,21H,1-6H3;.
What are the key properties of 2,4-ditert-butyl-6-phenylphenol;titanium?
2,4-ditert-butyl-6-phenylphenol;titanium has a molecular weight of 330.29 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-phenylphenol;titanium is sourced from PubChem (CID 175919247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).