3,5-ditert-butyl-2,4,6-trimethylphenol

C17H28O — CID 19934176

IUPAC3,5-ditert-butyl-2,4,6-trimethylphenol
SMILESCc1c(O)c(C)c(C(C)(C)C)c(C)c1C(C)(C)C
InChIInChI=1S/C17H28O/c1-10-13(16(4,5)6)11(2)15(18)12(3)14(10)17(7,8)9/h18H,1-9H3
InChIKeyLDJJCBOCIYKJAR-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.91
Rot. Bonds

About 3,5-ditert-butyl-2,4,6-trimethylphenol

3,5-ditert-butyl-2,4,6-trimethylphenol (PubChem CID 19934176) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 3,5-ditert-butyl-2,4,6-trimethylphenol.

Molecular Properties

Compound Name3,5-ditert-butyl-2,4,6-trimethylphenol
PubChem CID19934176
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name3,5-ditert-butyl-2,4,6-trimethylphenol
SMILESCc1c(O)c(C)c(C(C)(C)C)c(C)c1C(C)(C)C
InChIInChI=1S/C17H28O/c1-10-13(16(4,5)6)11(2)15(18)12(3)14(10)17(7,8)9/h18H,1-9H3
InChIKeyLDJJCBOCIYKJAR-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2,4,6-trimethylphenol?
The IUPAC name of 3,5-ditert-butyl-2,4,6-trimethylphenol (CID 19934176) is 3,5-ditert-butyl-2,4,6-trimethylphenol.
What is the SMILES notation for 3,5-ditert-butyl-2,4,6-trimethylphenol?
The canonical SMILES for 3,5-ditert-butyl-2,4,6-trimethylphenol is Cc1c(O)c(C)c(C(C)(C)C)c(C)c1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-2,4,6-trimethylphenol?
The InChIKey is LDJJCBOCIYKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-10-13(16(4,5)6)11(2)15(18)12(3)14(10)17(7,8)9/h18H,1-9H3.
What are the key properties of 3,5-ditert-butyl-2,4,6-trimethylphenol?
3,5-ditert-butyl-2,4,6-trimethylphenol has a molecular weight of 248.41 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2,4,6-trimethylphenol is sourced from PubChem (CID 19934176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).