3,5-ditert-butyl-2-phenylphenol;dichlorotitanium

C20H26Cl2OTi — CID 174365708

IUPAC3,5-ditert-butyl-2-phenylphenol;dichlorotitanium
SMILESCC(C)(C)c1cc(O)c(-c2ccccc2)c(C(C)(C)C)c1.Cl[Ti]Cl
InChIInChI=1S/C20H26O.2ClH.Ti/c1-19(2,3)15-12-16(20(4,5)6)18(17(21)13-15)14-10-8-7-9-11-14;;;/h7-13,21H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyDQYPOIWNDVZVMT-UHFFFAOYSA-L
MW401.20 g/mol
LogP7.03
Rot. Bonds1

About 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium

3,5-ditert-butyl-2-phenylphenol;dichlorotitanium (PubChem CID 174365708) has the molecular formula C20H26Cl2OTi and a molecular weight of 401.20 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium.

Molecular Properties

Compound Name3,5-ditert-butyl-2-phenylphenol;dichlorotitanium
PubChem CID174365708
Molecular FormulaC20H26Cl2OTi
Molecular Weight401.20 g/mol
Exact Mass400.08
IUPAC Name3,5-ditert-butyl-2-phenylphenol;dichlorotitanium
SMILESCC(C)(C)c1cc(O)c(-c2ccccc2)c(C(C)(C)C)c1.Cl[Ti]Cl
InChIInChI=1S/C20H26O.2ClH.Ti/c1-19(2,3)15-12-16(20(4,5)6)18(17(21)13-15)14-10-8-7-9-11-14;;;/h7-13,21H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyDQYPOIWNDVZVMT-UHFFFAOYSA-L
XLogP7.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.20
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-ditert-butyl-2-phenylphenol;titanium(2+);dichloride
CID 174365709
3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium
CID 174369626
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2-(1,3-benzodioxol-5-yl)-3,5-ditert-butylphenol
CID 10336510
3,6-ditert-butyl-2-phenylphenol
CID 88520586
2-[2,4-ditert-butyl-6-(chloromethyl)phenyl]phenol
CID 140611028
acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol
CID 21199772
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
2,5-ditert-butyl-4-phenylphenol
CID 14592702
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde
CID 15418880

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium?
The IUPAC name of 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium (CID 174365708) is 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium.
What is the SMILES notation for 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium?
The canonical SMILES for 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium is CC(C)(C)c1cc(O)c(-c2ccccc2)c(C(C)(C)C)c1.Cl[Ti]Cl.
What is the InChIKey of 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium?
The InChIKey is DQYPOIWNDVZVMT-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H26O.2ClH.Ti/c1-19(2,3)15-12-16(20(4,5)6)18(17(21)13-15)14-10-8-7-9-11-14;;;/h7-13,21H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium?
3,5-ditert-butyl-2-phenylphenol;dichlorotitanium has a molecular weight of 401.20 g/mol, XLogP of 7.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-phenylphenol;dichlorotitanium is sourced from PubChem (CID 174365708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).