2-tert-butyl-3-methyl-6-propan-2-ylphenol

C14H22O — CID 23086797

IUPAC2-tert-butyl-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C14H22O/c1-9(2)11-8-7-10(3)12(13(11)15)14(4,5)6/h7-9,15H,1-6H3
InChIKeyVSUWCZKDKIILFA-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.12
Rot. Bonds1

About 2-tert-butyl-3-methyl-6-propan-2-ylphenol

2-tert-butyl-3-methyl-6-propan-2-ylphenol (PubChem CID 23086797) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-6-propan-2-ylphenol
PubChem CID23086797
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-tert-butyl-3-methyl-6-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C14H22O/c1-9(2)11-8-7-10(3)12(13(11)15)14(4,5)6/h7-9,15H,1-6H3
InChIKeyVSUWCZKDKIILFA-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-3-methyl-6-propan-2-ylphenol 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-methyl-6-propan-2-ylphenol?
The IUPAC name of 2-tert-butyl-3-methyl-6-propan-2-ylphenol (CID 23086797) is 2-tert-butyl-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-tert-butyl-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2-tert-butyl-3-methyl-6-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-6-propan-2-ylphenol?
The InChIKey is VSUWCZKDKIILFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)11-8-7-10(3)12(13(11)15)14(4,5)6/h7-9,15H,1-6H3.
What are the key properties of 2-tert-butyl-3-methyl-6-propan-2-ylphenol?
2-tert-butyl-3-methyl-6-propan-2-ylphenol has a molecular weight of 206.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 23086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).