Molecule ID: 69420371

IUPAC Name: tert-butyl 4-hydroxy-3-methoxybenzoate

Description: The molecule is a benzoate ester that is tert-butyl benzoate that carries a methoxy group at position 3 and a hydroxy group at position 4 of the phenyl ring. It is a tert-butyl ester, a benzoate ester, a phenol and a monomethoxybenzene.

SMILES: COc1cc(C(=O)OC(C)(C)C)ccc1O

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

InChI: InChI=1S/C12H16O4/c1-12(2,3)16-11(14)8-5-6-9(13)10(7-8)15-4/h5-7,13H,1-4H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.7