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2-(3',5'-Dimethoxy-4'-hydroxy-phenyl)-indole

HCID 22752016
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cc(-c2cc3ccccc3[nH]2)cc(OC)c1O
InChIKey
IYLIOJOSNXFVNK-UHFFFAOYSA-N
Molecular formula
C16H15NO3
Average molar mass
269.29 g/mol

Names & identifiers

Preferred name
2-(3',5'-Dimethoxy-4'-hydroxy-phenyl)-indole
IUPAC
4-(1H-indol-2-yl)-2,6-dimethoxyphenol

Names & synonyms

SCHEMBL11531018IYLIOJOSNXFVNK-UHFFFAOYSA-N2-(3',5'-dimethoxy-4'-hydroxy-phenyl)-indole

Database identifiers

PubChem CID
22752016

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
54.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
311

Related reactions

2 records
New reaction record
HRID 65855 reaction equation
HRID 65855As productuspto-grants-1978_12
HRID 134634 reaction equation
HRID 134634As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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