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2-[3,5-Bis(methoxymethoxy)phenyl]ethanol

HCID 23116359
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCOc1cc(CCO)cc(OCOC)c1
InChIKey
AJZOYJKHUDJKRP-UHFFFAOYSA-N
Molecular formula
C12H18O5
Average molar mass
242.27 g/mol

Names & identifiers

Preferred name
2-[3,5-Bis(methoxymethoxy)phenyl]ethanol
IUPAC
2-[3,5-bis(methoxymethoxy)phenyl]ethanol

Names & synonyms

SCHEMBL2868811AJZOYJKHUDJKRP-UHFFFAOYSA-N2-[3,5-bis(methoxymethoxy)phenyl]ethanol

Database identifiers

PubChem CID
23116359

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
57.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
17
Formal charge
0
Complexity
172

Related reactions

6 records
New reaction record
HRID 93394 reaction equation
HRID 93394As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 495172 reaction equation
HRID 495172As productuspto-grants-2009_05
HRID 495173 reaction equation
HRID 495173As reactantuspto-grants-2009_05
HRID 499861 reaction equation
HRID 499861As productuspto-grants-2010_08
HRID 499862 reaction equation
HRID 499862As reactantuspto-grants-2010_08
HRID 827715 reaction equation
HRID 827715As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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