tert-Butyl-2-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)acetate

HCID 44224192
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIKey
IUGQULWNGWPRGT-UHFFFAOYSA-N
Molecular formula
C18H16I4O4
Average molar mass
803.9 g/mol

Names & identifiers

Preferred name
tert-Butyl-2-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)acetate
IUPAC
tert-butyl 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetate

Names & synonyms

CHEMBL552507SCHEMBL1526094IUGQULWNGWPRGT-UHFFFAOYSA-NDB-152670tert-Butyl-2-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)acetate4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid 1,1-dimethylethyl ester1174546-71-4

Database identifiers

PubChem CID
44224192
ChEMBL
CHEMBL552507

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

Loading…