2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol

C28H42O2 — CID 22163155

IUPAC2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
SMILESCC(C)(C)c1cc(Oc2c(C(C)(C)C)cccc2C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H42O2/c1-25(2,3)19-14-13-15-20(26(4,5)6)24(19)30-18-16-21(27(7,8)9)23(29)22(17-18)28(10,11)12/h13-17,29H,1-12H3
InChIKeyZZYGWJMKAOCRKE-UHFFFAOYSA-N
MW410.64 g/mol
LogP8.37
Rot. Bonds2

About 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol

2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol (PubChem CID 22163155) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
PubChem CID22163155
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
SMILESCC(C)(C)c1cc(Oc2c(C(C)(C)C)cccc2C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H42O2/c1-25(2,3)19-14-13-15-20(26(4,5)6)24(19)30-18-16-21(27(7,8)9)23(29)22(17-18)28(10,11)12/h13-17,29H,1-12H3
InChIKeyZZYGWJMKAOCRKE-UHFFFAOYSA-N
XLogP8.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-methoxyphenol
CID 10269
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene
CID 135062316
(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
CID 5134279
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol
CID 173269586
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol (CID 22163155) is 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol is CC(C)(C)c1cc(Oc2c(C(C)(C)C)cccc2C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol?
The InChIKey is ZZYGWJMKAOCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2/c1-25(2,3)19-14-13-15-20(26(4,5)6)24(19)30-18-16-21(27(7,8)9)23(29)22(17-18)28(10,11)12/h13-17,29H,1-12H3.
What are the key properties of 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol?
2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol has a molecular weight of 410.64 g/mol, XLogP of 8.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol is sourced from PubChem (CID 22163155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).