Basic information
- Standard SMILES
COc1ccc2c(c1)c(C(=O)O)c(C)n2-c1ccc(I)cc1- InChIKey
IHLORUZHDBGVDO-UHFFFAOYSA-N- Molecular formula
- C17H14INO3
- Average molar mass
- 407.2 g/mol
Names & identifiers
- Preferred name
- 1-(4-iodophenyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
- IUPAC
- 1-(4-iodophenyl)-5-methoxy-2-methylindole-3-carboxylic acid
- English name
- 1-(4-iodophenyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
- Molecular formula
- C17H14INO3
- Molecular weight
- 407.2
Names & synonyms
1-(4-iodophenyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid325739-91-11-(4-iodophenyl)-5-methoxy-2-methylindole-3-carboxylic acidOprea1_836924AE-848/37031053STK744811AKOS001019881NCGC00317445-01AB01312832-01Z567735801H-Indole-3-carboxylic acid, 1-(4-iodophenyl)-5-methoxy-2-methyl-
Database identifiers
- CAS
325739-91-1
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 454.5 · 454.5±45.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 3.84 · 3.84±0.30(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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