4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol

C56H66O4 — CID 59411949

IUPAC4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)cc(-c3ccccc3OCC(COc3ccccc3-c3cc(C(C)(C)C)cc(-c4c(C)cc(C)cc4C)c3O)C(C)C)c2O)c(C)c1
InChIInChI=1S/C56H66O4/c1-33(2)40(31-59-49-21-17-15-19-43(49)45-27-41(55(9,10)11)29-47(53(45)57)51-36(5)23-34(3)24-37(51)6)32-60-50-22-18-16-20-44(50)46-28-42(56(12,13)14)30-48(54(46)58)52-38(7)25-35(4)26-39(52)8/h15-30,33,40,57-58H,31-32H2,1-14H3
InChIKeyQGILIHWLFKZDFS-UHFFFAOYSA-N
MW803.14 g/mol
LogP14.94
Rot. Bonds11

About 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol

4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol (PubChem CID 59411949) has the molecular formula C56H66O4 and a molecular weight of 803.14 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol
PubChem CID59411949
Molecular FormulaC56H66O4
Molecular Weight803.14 g/mol
Exact Mass802.50
IUPAC Name4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)cc(-c3ccccc3OCC(COc3ccccc3-c3cc(C(C)(C)C)cc(-c4c(C)cc(C)cc4C)c3O)C(C)C)c2O)c(C)c1
InChIInChI=1S/C56H66O4/c1-33(2)40(31-59-49-21-17-15-19-43(49)45-27-41(55(9,10)11)29-47(53(45)57)51-36(5)23-34(3)24-37(51)6)32-60-50-22-18-16-20-44(50)46-28-42(56(12,13)14)30-48(54(46)58)52-38(7)25-35(4)26-39(52)8/h15-30,33,40,57-58H,31-32H2,1-14H3
InChIKeyQGILIHWLFKZDFS-UHFFFAOYSA-N
XLogP14.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.14
LogP ≤ 514.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol?
The IUPAC name of 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol (CID 59411949) is 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol?
The canonical SMILES for 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol is Cc1cc(C)c(-c2cc(C(C)(C)C)cc(-c3ccccc3OCC(COc3ccccc3-c3cc(C(C)(C)C)cc(-c4c(C)cc(C)cc4C)c3O)C(C)C)c2O)c(C)c1.
What is the InChIKey of 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol?
The InChIKey is QGILIHWLFKZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H66O4/c1-33(2)40(31-59-49-21-17-15-19-43(49)45-27-41(55(9,10)11)29-47(53(45)57)51-36(5)23-34(3)24-37(51)6)32-60-50-22-18-16-20-44(50)46-28-42(56(12,13)14)30-48(54(46)58)52-38(7)25-35(4)26-39(52)8/h15-30,33,40,57-58H,31-32H2,1-14H3.
What are the key properties of 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol?
4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol has a molecular weight of 803.14 g/mol, XLogP of 14.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol is sourced from PubChem (CID 59411949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).