2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol

C25H36O — CID 11792333

IUPAC2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
SMILESCC(C)(C)c1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C25H36O/c1-23(2,3)19-12-10-17(11-13-19)14-18-15-20(24(4,5)6)16-21(22(18)26)25(7,8)9/h10-13,15-16,26H,14H2,1-9H3
InChIKeyASEUJIZWBPDSNG-UHFFFAOYSA-N
MW352.56 g/mol
LogP6.88
Rot. Bonds2

About 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol

2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol (PubChem CID 11792333) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
PubChem CID11792333
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
SMILESCC(C)(C)c1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C25H36O/c1-23(2,3)19-12-10-17(11-13-19)14-18-15-20(24(4,5)6)16-21(22(18)26)25(7,8)9/h10-13,15-16,26H,14H2,1-9H3
InChIKeyASEUJIZWBPDSNG-UHFFFAOYSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol (CID 11792333) is 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol is CC(C)(C)c1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1.
What is the InChIKey of 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol?
The InChIKey is ASEUJIZWBPDSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O/c1-23(2,3)19-12-10-17(11-13-19)14-18-15-20(24(4,5)6)16-21(22(18)26)25(7,8)9/h10-13,15-16,26H,14H2,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol?
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol has a molecular weight of 352.56 g/mol, XLogP of 6.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol is sourced from PubChem (CID 11792333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).