Methyl 2-[6-hydroxy-4-(trifluoromethyl)benzo[b]thiophen-3-yl]acetate

HCID 89767967
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Cc1csc2cc(O)cc(C(F)(F)F)c12
InChIKey
VMJFTDNVZOZSLZ-UHFFFAOYSA-N
Molecular formula
C12H9F3O3S
Average molar mass
290.26 g/mol

Names & identifiers

Preferred name
Methyl 2-[6-hydroxy-4-(trifluoromethyl)benzo[b]thiophen-3-yl]acetate
IUPAC
methyl 2-[6-hydroxy-4-(trifluoromethyl)-1-benzothiophen-3-yl]acetate

Names & synonyms

Methyl 2-[6-hydroxy-4-(trifluoromethyl)benzo[b]thiophen-3-yl]acetateSCHEMBL15211454Methyl(6-hydroxy-4-(trifluoromethyl)-1-benzothiophen-3-yl)acetate

Database identifiers

PubChem CID
89767967

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

Loading…