3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium

C17H20Cl2OTi — CID 174369626

IUPAC3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium
SMILESCc1cc(O)c(-c2ccccc2)c(C(C)(C)C)c1.Cl[Ti]Cl
InChIInChI=1S/C17H20O.2ClH.Ti/c1-12-10-14(17(2,3)4)16(15(18)11-12)13-8-6-5-7-9-13;;;/h5-11,18H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyVEGGJUGKAKHXLF-UHFFFAOYSA-L
MW359.12 g/mol
LogP6.04
Rot. Bonds1

About 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium

3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium (PubChem CID 174369626) has the molecular formula C17H20Cl2OTi and a molecular weight of 359.12 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium
PubChem CID174369626
Molecular FormulaC17H20Cl2OTi
Molecular Weight359.12 g/mol
Exact Mass358.04
IUPAC Name3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium
SMILESCc1cc(O)c(-c2ccccc2)c(C(C)(C)C)c1.Cl[Ti]Cl
InChIInChI=1S/C17H20O.2ClH.Ti/c1-12-10-14(17(2,3)4)16(15(18)11-12)13-8-6-5-7-9-13;;;/h5-11,18H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyVEGGJUGKAKHXLF-UHFFFAOYSA-L
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.12
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-ditert-butyl-2-phenylphenol;dichlorotitanium
CID 174365708
3,5-ditert-butyl-2-phenylphenol;titanium(2+);dichloride
CID 174365709
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol
CID 172701071
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
3-tert-butyl-2-[(4R,5R)-4,5-diphenylimidazolidin-2-yl]-5-methylphenol
CID 100981555
2-tert-butylphenol;toluene
CID 175493501
3,6-ditert-butyl-2-phenylphenol
CID 88520586
acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol
CID 21199772
2,3,8,9-tetratert-butyl-5,11-bis(4-methylphenyl)-6,12-diphenyltetracene
CID 162426478
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;dichlorotitanium
CID 85407072

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium?
The IUPAC name of 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium (CID 174369626) is 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium.
What is the SMILES notation for 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium?
The canonical SMILES for 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium is Cc1cc(O)c(-c2ccccc2)c(C(C)(C)C)c1.Cl[Ti]Cl.
What is the InChIKey of 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium?
The InChIKey is VEGGJUGKAKHXLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H20O.2ClH.Ti/c1-12-10-14(17(2,3)4)16(15(18)11-12)13-8-6-5-7-9-13;;;/h5-11,18H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium?
3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium has a molecular weight of 359.12 g/mol, XLogP of 6.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium is sourced from PubChem (CID 174369626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).