2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol

C65H84O4 — CID 58288721

IUPAC2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol
SMILESCc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(C(C)(C)C)ccc2OCCCOc2ccc(C(C)(C)C)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1
InChIInChI=1S/C65H84O4/c1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20/h22-25,28-39,66-67H,21,26-27H2,1-20H3
InChIKeyZUBICKPRAVNZDE-UHFFFAOYSA-N
MW929.38 g/mol
LogP18.02
Rot. Bonds10

About 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol

2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol (PubChem CID 58288721) has the molecular formula C65H84O4 and a molecular weight of 929.38 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol
PubChem CID58288721
Molecular FormulaC65H84O4
Molecular Weight929.38 g/mol
Exact Mass928.64
IUPAC Name2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol
SMILESCc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(C(C)(C)C)ccc2OCCCOc2ccc(C(C)(C)C)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1
InChIInChI=1S/C65H84O4/c1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20/h22-25,28-39,66-67H,21,26-27H2,1-20H3
InChIKeyZUBICKPRAVNZDE-UHFFFAOYSA-N
XLogP18.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.38
LogP ≤ 518.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?
The IUPAC name of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol (CID 58288721) is 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol.
What is the SMILES notation for 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?
The canonical SMILES for 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol is Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(C(C)(C)C)ccc2OCCCOc2ccc(C(C)(C)C)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.
What is the InChIKey of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?
The InChIKey is ZUBICKPRAVNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H84O4/c1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20/h22-25,28-39,66-67H,21,26-27H2,1-20H3.
What are the key properties of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?
2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol has a molecular weight of 929.38 g/mol, XLogP of 18.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol is sourced from PubChem (CID 58288721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).