2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol

C58H86O4 — CID 22725873

IUPAC2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
SMILESCC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C58H86O4/c1-51(2,3)37-25-33(26-38(47(37)59)52(4,5)6)45(34-27-39(53(7,8)9)48(60)40(28-34)54(10,11)12)46(35-29-41(55(13,14)15)49(61)42(30-35)56(16,17)18)36-31-43(57(19,20)21)50(62)44(32-36)58(22,23)24/h25-32,45-46,59-62H,1-24H3
InChIKeyMJDPICJUNCYZHA-UHFFFAOYSA-N
MW847.32 g/mol
LogP15.85
Rot. Bonds5

About 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol

2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol (PubChem CID 22725873) has the molecular formula C58H86O4 and a molecular weight of 847.32 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
PubChem CID22725873
Molecular FormulaC58H86O4
Molecular Weight847.32 g/mol
Exact Mass846.65
IUPAC Name2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
SMILESCC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C58H86O4/c1-51(2,3)37-25-33(26-38(47(37)59)52(4,5)6)45(34-27-39(53(7,8)9)48(60)40(28-34)54(10,11)12)46(35-29-41(55(13,14)15)49(61)42(30-35)56(16,17)18)36-31-43(57(19,20)21)50(62)44(32-36)58(22,23)24/h25-32,45-46,59-62H,1-24H3
InChIKeyMJDPICJUNCYZHA-UHFFFAOYSA-N
XLogP15.85
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.32
LogP ≤ 515.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
4-(2-amino-1-hydroxypropyl)-2,6-ditert-butylphenol
CID 43209074
ethyl (2R)-2-amino-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 92844540
2,6-ditert-butyl-4-methoxyphenol
CID 10269
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
4-[(1S)-1-aminoprop-2-enyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217313
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol (CID 22725873) is 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol is CC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is MJDPICJUNCYZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H86O4/c1-51(2,3)37-25-33(26-38(47(37)59)52(4,5)6)45(34-27-39(53(7,8)9)48(60)40(28-34)54(10,11)12)46(35-29-41(55(13,14)15)49(61)42(30-35)56(16,17)18)36-31-43(57(19,20)21)50(62)44(32-36)58(22,23)24/h25-32,45-46,59-62H,1-24H3.
What are the key properties of 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol?
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 847.32 g/mol, XLogP of 15.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 22725873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).