Molecule ID: 56955926

IUPAC Name: 2-[2,6-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-3-hydroxy-5-methyl-6-(3-methylbut-2-enoxy)benzaldehyde

Description: The molecule is a member of the class of benzophenones that is benzophenone in which one of the phenyl groups is substituted by a 3,3-dimethylallyl group at position 3 and by hydroxy groups at positions 2 and 6, while the other is substituted by a formyl group at position 2, a 3,3-dimethylallyloxy group at position 3, a methyl group at position 4, and a hydroxy group at position 6. It is an aldehyde, a member of phenols, a member of benzophenones, a member of resorcinols and an arugosin A. It is a tautomer of an arugosin A (lactol form).

SMILES: CC(C)=CCOc1c(C)cc(O)c(C(=O)c2c(O)ccc(CC=C(C)C)c2O)c1C=O

SELFIES: [C][C][Branch1][C][C][=C][C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O][=C][Ring2][Ring1][#Branch1][C][=O]

InChI: InChI=1S/C25H28O6/c1-14(2)6-7-17-8-9-19(27)22(23(17)29)24(30)21-18(13-26)25(16(5)12-20(21)28)31-11-10-15(3)4/h6,8-10,12-13,27-29H,7,11H2,1-5H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 6.0