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

C60H90O4 — CID 22725890

IUPAC2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
SMILESCC(C)(C)c1cc(C(CCC(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)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C60H90O4/c1-53(2,3)41-27-35(28-42(49(41)61)54(4,5)6)39(36-29-43(55(7,8)9)50(62)44(30-36)56(10,11)12)25-26-40(37-31-45(57(13,14)15)51(63)46(32-37)58(16,17)18)38-33-47(59(19,20)21)52(64)48(34-38)60(22,23)24/h27-34,39-40,61-64H,25-26H2,1-24H3
InChIKeyWOBNFQSZXXYQSI-UHFFFAOYSA-N
MW875.38 g/mol
LogP16.63
Rot. Bonds7

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

2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol (PubChem CID 22725890) has the molecular formula C60H90O4 and a molecular weight of 875.38 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
PubChem CID22725890
Molecular FormulaC60H90O4
Molecular Weight875.38 g/mol
Exact Mass874.68
IUPAC Name2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
SMILESCC(C)(C)c1cc(C(CCC(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)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C60H90O4/c1-53(2,3)41-27-35(28-42(49(41)61)54(4,5)6)39(36-29-43(55(7,8)9)50(62)44(30-36)56(10,11)12)25-26-40(37-31-45(57(13,14)15)51(63)46(32-37)58(16,17)18)38-33-47(59(19,20)21)52(64)48(34-38)60(22,23)24/h27-34,39-40,61-64H,25-26H2,1-24H3
InChIKeyWOBNFQSZXXYQSI-UHFFFAOYSA-N
XLogP16.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.38
LogP ≤ 516.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)octyl]-6-propan-2-ylphenol
CID 139968357
4-[(1R)-1-amino-3-fluoropropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197822
2,6-ditert-butyl-4-(1-sulfanylpentyl)phenol
CID 174704090
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-6-methylphenol;2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 160596622
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol
CID 171162047
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;hydrate
CID 170872551
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol (CID 22725890) is 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol is CC(C)(C)c1cc(C(CCC(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)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-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol?
The InChIKey is WOBNFQSZXXYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H90O4/c1-53(2,3)41-27-35(28-42(49(41)61)54(4,5)6)39(36-29-43(55(7,8)9)50(62)44(30-36)56(10,11)12)25-26-40(37-31-45(57(13,14)15)51(63)46(32-37)58(16,17)18)38-33-47(59(19,20)21)52(64)48(34-38)60(22,23)24/h27-34,39-40,61-64H,25-26H2,1-24H3.
What are the key properties of 2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol?
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol has a molecular weight of 875.38 g/mol, XLogP of 16.63, 7 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-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 22725890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).