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[[1-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-indol-4-yl]oxy]acetic acid methyl ester

HCID 10547643
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)COc1cccc2c1cc(C)n2Cc1c(Cl)cccc1Cl
InChIKey
XUSQZYFZIXDKKG-UHFFFAOYSA-N
Molecular formula
C19H17Cl2NO3
Average molar mass
378.2 g/mol

Names & identifiers

Preferred name
[[1-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-indol-4-yl]oxy]acetic acid methyl ester
IUPAC
methyl 2-[1-[(2,6-dichlorophenyl)methyl]-2-methylindol-4-yl]oxyacetate

Names & synonyms

SCHEMBL2156635XUSQZYFZIXDKKG-UHFFFAOYSA-N[[1-[(2,6-dichlorophenyl)methyl]-2-methyl-1H-indol-4-yl]oxy]acetic acid methyl ester

Database identifiers

PubChem CID
10547643

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
40.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
454

Related reactions

7 records
New reaction record
HRID 3352 reaction equation
HRID 3352As productuspto-grants-1998_03
HRID 566655 reaction equation
HRID 566655As productuspto-grants-2001_01
HRID 581129 reaction equation
HRID 581129As productuspto-grants-1999_07
HRID 581412 reaction equation
HRID 581412As productuspto-grants-1999_07
HRID 1241076 reaction equation
HRID 1241076As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2256230 reaction equation
HRID 2256230As productuspto-grants-1997_08
HRID 2303490 reaction equation
HRID 2303490As productuspto-grants-2002_08

Compound notes

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