2-tert-Butyl-4-isopropylphenol

C₁₃H₂₀O — CID 24240

About 2-tert-Butyl-4-isopropylphenol

2-tert-Butyl-4-isopropylphenol (PubChem CID 24240) has the molecular formula C₁₃H₂₀O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylphenol.

Molecular Properties

• Compound Name: 2-tert-Butyl-4-isopropylphenol
• PubChem CID: 24240
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30 g/mol
• Exact Mass: 192.15
• IUPAC Name: 2-tert-butyl-4-propan-2-ylphenol
• SMILES: CC(C)c1ccc(O)c(C(C)(C)C)c1
• InChI: InChI=1S/C13H20O/c1-9(2)10-6-7-12(14)11(8-10)13(3,4)5/h6-9,14H,1-5H3
• InChIKey: KXLQULHLCDGRKG-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.30
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-tert-Butyl-4-isopropylphenol?

The IUPAC name of 2-tert-Butyl-4-isopropylphenol (CID 24240) is 2-tert-butyl-4-propan-2-ylphenol.

What is the SMILES notation for 2-tert-Butyl-4-isopropylphenol?

The canonical SMILES for 2-tert-Butyl-4-isopropylphenol is CC(C)c1ccc(O)c(C(C)(C)C)c1.

What is the InChIKey of 2-tert-Butyl-4-isopropylphenol?

The InChIKey is KXLQULHLCDGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)10-6-7-12(14)11(8-10)13(3,4)5/h6-9,14H,1-5H3.

What are the key properties of 2-tert-Butyl-4-isopropylphenol?

2-tert-Butyl-4-isopropylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-Butyl-4-isopropylphenol is sourced from PubChem (CID 24240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24240 — identifiers, structure, computed properties (public domain)

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