2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol

C37H53NO2 — CID 136669231

IUPAC2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C37H53NO2/c1-33(2,3)22-16-25(31(39)27(18-22)36(10,11)12)29-20-24(35(7,8)9)21-30(38-29)26-17-23(34(4,5)6)19-28(32(26)40)37(13,14)15/h16-21,39-40H,1-15H3
InChIKeyNQWSVTUYCBJBRS-UHFFFAOYSA-N
MW543.84 g/mol
LogP10.31
Rot. Bonds2

About 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol

2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 136669231) has the molecular formula C37H53NO2 and a molecular weight of 543.84 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID136669231
Molecular FormulaC37H53NO2
Molecular Weight543.84 g/mol
Exact Mass543.41
IUPAC Name2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C37H53NO2/c1-33(2,3)22-16-25(31(39)27(18-22)36(10,11)12)29-20-24(35(7,8)9)21-30(38-29)26-17-23(34(4,5)6)19-28(32(26)40)37(13,14)15/h16-21,39-40H,1-15H3
InChIKeyNQWSVTUYCBJBRS-UHFFFAOYSA-N
XLogP10.31
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.84
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2,4-ditert-butyl-6-[4-tert-butyl-6-(2-pyridin-2-yldibenzothiophen-4-yl)-2-pyridinyl]phenol
CID 176796259
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
CID 135046337
CID 135046337
2,4-ditert-butyl-6-[4-(2-phenylpropan-2-yl)-6-[3-phenyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 164742018
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
2-[4-(1-bromoethyl)-1,3-oxazol-2-yl]-4,6-ditert-butylphenol
CID 174427136
2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742424
3,5-ditert-butyl-2-hydroxybenzonitrile;2,4-ditert-butyl-6-(2H-tetrazol-5-yl)phenol
CID 159715166
methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate
CID 150648476
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium
CID 21130801
2,4-ditert-butyl-6-[4-[3-[6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-benzoselenazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]-1,3-benzoselenazol-2-yl]phenol
CID 176622888

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol (CID 136669231) is 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is NQWSVTUYCBJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53NO2/c1-33(2,3)22-16-25(31(39)27(18-22)36(10,11)12)29-20-24(35(7,8)9)21-30(38-29)26-17-23(34(4,5)6)19-28(32(26)40)37(13,14)15/h16-21,39-40H,1-15H3.
What are the key properties of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol?
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol has a molecular weight of 543.84 g/mol, XLogP of 10.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136669231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).