3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol

C58H86O2 — CID 150861035

IUPAC3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
SMILESCC(C)Cc1ccc(O)c(C(C)c2c(O)ccc(CC(C)C)c2CCCCc2ccc(C(C)(C)C)cc2C(C)(C)C)c1CCCCc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C58H86O2/c1-38(2)34-43-28-32-51(59)53(47(43)24-20-18-22-41-26-30-45(55(6,7)8)36-49(41)57(12,13)14)40(5)54-48(44(35-39(3)4)29-33-52(54)60)25-21-19-23-42-27-31-46(56(9,10)11)37-50(42)58(15,16)17/h26-33,36-40,59-60H,18-25,34-35H2,1-17H3
InChIKeyKSAJLBQSDGLFGX-UHFFFAOYSA-N
MW815.32 g/mol
LogP15.97
Rot. Bonds16

About 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol

3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol (PubChem CID 150861035) has the molecular formula C58H86O2 and a molecular weight of 815.32 g/mol. Its IUPAC name is 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol.

Molecular Properties

Compound Name3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
PubChem CID150861035
Molecular FormulaC58H86O2
Molecular Weight815.32 g/mol
Exact Mass814.66
IUPAC Name3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
SMILESCC(C)Cc1ccc(O)c(C(C)c2c(O)ccc(CC(C)C)c2CCCCc2ccc(C(C)(C)C)cc2C(C)(C)C)c1CCCCc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C58H86O2/c1-38(2)34-43-28-32-51(59)53(47(43)24-20-18-22-41-26-30-45(55(6,7)8)36-49(41)57(12,13)14)40(5)54-48(44(35-39(3)4)29-33-52(54)60)25-21-19-23-42-27-31-46(56(9,10)11)37-50(42)58(15,16)17/h26-33,36-40,59-60H,18-25,34-35H2,1-17H3
InChIKeyKSAJLBQSDGLFGX-UHFFFAOYSA-N
XLogP15.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.32
LogP ≤ 515.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
CID 118359640
2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
CID 141434807
2-(2,4-ditert-butylphenyl)-3,5,6-tris(8-methylnonyl)benzene-1,4-diol
CID 88774454
2-(2,4-ditert-butylphenyl)ethanesulfonic acid
CID 87653865
(3Z,5E)-9-(2,4-ditert-butylphenyl)-6-methyl-2-methylidenenona-3,5-diene-1-thiol
CID 144776517
4-tert-butyl-2,3-dioctadecylphenol
CID 22446922
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
(2,4-ditert-butylphenyl)methanamine
CID 174492091
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284
1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2,4-ditert-butylphenyl)propan-1-one
CID 118518907
2-(2,4-ditert-butylphenyl)acetamide
CID 134462410

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol?
The IUPAC name of 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol (CID 150861035) is 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol.
What is the SMILES notation for 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol?
The canonical SMILES for 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol is CC(C)Cc1ccc(O)c(C(C)c2c(O)ccc(CC(C)C)c2CCCCc2ccc(C(C)(C)C)cc2C(C)(C)C)c1CCCCc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol?
The InChIKey is KSAJLBQSDGLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H86O2/c1-38(2)34-43-28-32-51(59)53(47(43)24-20-18-22-41-26-30-45(55(6,7)8)36-49(41)57(12,13)14)40(5)54-48(44(35-39(3)4)29-33-52(54)60)25-21-19-23-42-27-31-46(56(9,10)11)37-50(42)58(15,16)17/h26-33,36-40,59-60H,18-25,34-35H2,1-17H3.
What are the key properties of 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol?
3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol has a molecular weight of 815.32 g/mol, XLogP of 15.97, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-ditert-butylphenyl)butyl]-2-[1-[2-[4-(2,4-ditert-butylphenyl)butyl]-6-hydroxy-3-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol is sourced from PubChem (CID 150861035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).