2-tert-butyl-4,6-dimethylphenol

C24H36O2 — CID 87814182

IUPAC2-tert-butyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/2C12H18O/c2*1-8-6-9(2)11(13)10(7-8)12(3,4)5/h2*6-7,13H,1-5H3
InChIKeyAMWPFXICICLPLF-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.61
Rot. Bonds

About 2-tert-butyl-4,6-dimethylphenol

2-tert-butyl-4,6-dimethylphenol (PubChem CID 87814182) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 2-tert-butyl-4,6-dimethylphenol.

Molecular Properties

Compound Name2-tert-butyl-4,6-dimethylphenol
PubChem CID87814182
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name2-tert-butyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/2C12H18O/c2*1-8-6-9(2)11(13)10(7-8)12(3,4)5/h2*6-7,13H,1-5H3
InChIKeyAMWPFXICICLPLF-UHFFFAOYSA-N
XLogP6.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4,6-dimethylphenol with MolForge

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

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
CID 59187830
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,6-dimethylphenol
CID 131196188
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-dimethylphenol?
The IUPAC name of 2-tert-butyl-4,6-dimethylphenol (CID 87814182) is 2-tert-butyl-4,6-dimethylphenol.
What is the SMILES notation for 2-tert-butyl-4,6-dimethylphenol?
The canonical SMILES for 2-tert-butyl-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4,6-dimethylphenol?
The InChIKey is AMWPFXICICLPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18O/c2*1-8-6-9(2)11(13)10(7-8)12(3,4)5/h2*6-7,13H,1-5H3.
What are the key properties of 2-tert-butyl-4,6-dimethylphenol?
2-tert-butyl-4,6-dimethylphenol has a molecular weight of 356.55 g/mol, XLogP of 6.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-dimethylphenol is sourced from PubChem (CID 87814182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).