Molecule ID: 79983

IUPAC Name: 2,5-ditert-butylphenol

Description: The molecule is a member of the class of phenols that is phenol substituted by tert-butyl groups at position 2 and 5. It has a role as a plant metabolite and a mammalian metabolite. It is a member of phenols and an alkylbenzene.

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

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

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

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