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1H-Indole, 1-(1-methoxyethyl)-

HCID 31576
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
22942-81-0
Standard SMILES
COC(C)n1ccc2ccccc21
InChIKey
KZLMZUCDWYXVJZ-UHFFFAOYSA-N
Molecular formula
C11H13NO
Average molar mass
175.23 g/mol
Monoisotopic mass
175.09971404

Names & identifiers

Preferred name
1H-Indole, 1-(1-methoxyethyl)-
IUPAC
1-(1-methoxyethyl)indole

Names & synonyms

1H-Indole, 1-(1-methoxyethyl)-22942-81-0RefChem:10581521-(alpha-Methoxyethyl)indole1-(1-methoxyethyl)indole1-[1-methoxyethyl]indoleBRN 49885161-(1-Methoxyethyl)-1H-indoleINDOLE, 1-(1-METHOXYETHYL)-indole-3-methyl-ethanolateSCHEMBL2945924SCHEMBL6425937
Show more names
DTXSID20945626KZLMZUCDWYXVJZ-UHFFFAOYSA-N

Database identifiers

CAS
22942-81-0
PubChem CID
31576
DTXSID
DTXSID20945626
Nikkaji
J62.678C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
14.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
171

Related reactions

4 records
New reaction record
HRID 163643 reaction equation
HRID 163643As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 427768 reaction equation
HRID 427768As productuspto-grants-2001_11
HRID 427769 reaction equation
HRID 427769As reactantuspto-grants-2001_11
HRID 1565924 reaction equation
HRID 1565924As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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