2-tert-butyl-3,5,6-trimethylphenol

C13H20O — CID 21325620

IUPAC2-tert-butyl-3,5,6-trimethylphenol
SMILESCc1cc(C)c(C(C)(C)C)c(O)c1C
InChIInChI=1S/C13H20O/c1-8-7-9(2)11(13(4,5)6)12(14)10(8)3/h7,14H,1-6H3
InChIKeyULUYMRWMVTYGQK-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.61
Rot. Bonds

About 2-tert-butyl-3,5,6-trimethylphenol

2-tert-butyl-3,5,6-trimethylphenol (PubChem CID 21325620) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-tert-butyl-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-tert-butyl-3,5,6-trimethylphenol
PubChem CID21325620
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-tert-butyl-3,5,6-trimethylphenol
SMILESCc1cc(C)c(C(C)(C)C)c(O)c1C
InChIInChI=1S/C13H20O/c1-8-7-9(2)11(13(4,5)6)12(14)10(8)3/h7,14H,1-6H3
InChIKeyULUYMRWMVTYGQK-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-3,5,6-trimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5,6-trimethylphenol?
The IUPAC name of 2-tert-butyl-3,5,6-trimethylphenol (CID 21325620) is 2-tert-butyl-3,5,6-trimethylphenol.
What is the SMILES notation for 2-tert-butyl-3,5,6-trimethylphenol?
The canonical SMILES for 2-tert-butyl-3,5,6-trimethylphenol is Cc1cc(C)c(C(C)(C)C)c(O)c1C.
What is the InChIKey of 2-tert-butyl-3,5,6-trimethylphenol?
The InChIKey is ULUYMRWMVTYGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-8-7-9(2)11(13(4,5)6)12(14)10(8)3/h7,14H,1-6H3.
What are the key properties of 2-tert-butyl-3,5,6-trimethylphenol?
2-tert-butyl-3,5,6-trimethylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5,6-trimethylphenol is sourced from PubChem (CID 21325620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).