5'-Isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-carboxylic acid

HCID 53363646
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(=O)O
InChIKey
JRWPVARRZWCALE-UHFFFAOYSA-N
Molecular formula
C18H17F3O3
Average molar mass
338.3 g/mol

Names & identifiers

Preferred name
5'-Isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-carboxylic acid
IUPAC
2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzoic acid

Names & synonyms

5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-carboxylic acidSCHEMBL531377

Database identifiers

PubChem CID
53363646

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records
New reaction record

Compound notes

Loading…