CAS 866318-89-0 3-iodo-5,6-dimethoxy-1-methyl-1H-indole (HCID 67147447)

Substructure search Find similar structures

Basic information

CAS: 866318-89-0
Standard SMILES: COc1cc2c(I)cn(C)c2cc1OC
InChIKey: QYNSIMQTDYFLEP-UHFFFAOYSA-N
Molecular formula: C11H12INO2
Average molar mass: 317.12 g/mol
Monoisotopic mass: 316.99127662

Names & identifiers

Preferred name: 3-iodo-5,6-dimethoxy-1-methyl-1H-indole
IUPAC: 3-iodo-5,6-dimethoxy-1-methylindole

Names & synonyms

3-iodo-5,6-dimethoxy-1-methyl-1H-indole866318-89-01h-indole,3-iodo-5,6-dimethoxy-1-methyl-SCHEMBL1748651QYNSIMQTDYFLEP-UHFFFAOYSA-NDTXSID4012732961H-Indole, 3-iodo-5,6-dimethoxy-1-methyl-

Database identifiers

CAS: 866318-89-0
PubChem CID: 67147447
DTXSID: DTXSID401273296

Properties

Computed structural propertiesFilling in

XLogP: 2.6
Topological polar surface area: 23.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 227

Related reactions

5 records

New reaction record

HRID 490447As reactantuspto-grants-2009_05

HRID 490451As productuspto-grants-2009_05

HRID 1556618As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2426843As reactantuspto-grants-2011_06

HRID 2426847As productuspto-grants-2011_06

Compound notes

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