Molecule ID: 7311

IUPAC Name: 2,4-ditert-butylphenol

Description: The molecule is a member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. It has a role as a bacterial metabolite, an antioxidant and a marine metabolite. It is an alkylbenzene and a member of phenols.

SMILES: CC(C)(C)c1ccc(O)c(C(C)(C)C)c1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O]

InChI: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.9