Molecule ID: 72144

IUPAC Name: 4,5-dimethyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol

Description: The molecule is a bridged compound that is 3,4-xylenol carrying an additional isobornyl substituent at position 6. A lipophilic antibacterial drug mainly used in spray dosage forms for the local treatment of infection and inflammation of the throat. It has a role as an antibacterial drug. It is a member of phenols and a bridged compound. It derives from a hydride of a bornane.

SMILES: Cc1cc(O)c([C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1C

SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C@@H1][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][Ring1][P][C]

InChI: InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.6