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Methyl 3-(2-(benzyloxy)ethoxy)-5-methoxybenzoate

HCID 66746459
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(OC)cc(OCCOCc2ccccc2)c1
InChIKey
UHYJNGBJDHCNCO-UHFFFAOYSA-N
Molecular formula
C18H20O5
Average molar mass
316.3 g/mol

Names & identifiers

Preferred name
Methyl 3-(2-(benzyloxy)ethoxy)-5-methoxybenzoate
IUPAC
methyl 3-methoxy-5-(2-phenylmethoxyethoxy)benzoate

Names & synonyms

SCHEMBL620242UHYJNGBJDHCNCO-UHFFFAOYSA-Nmethyl 3-(2-(benzyloxy)ethoxy)-5-methoxybenzoate

Database identifiers

PubChem CID
66746459

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
23
Formal charge
0
Complexity
340

Related reactions

4 records
New reaction record
HRID 137196 reaction equation
HRID 137196As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1467040 reaction equation
HRID 1467040As productuspto-grants-2015_04
HRID 2047781 reaction equation
HRID 2047781As productuspto-grants-2013_11
HRID 2169890 reaction equation
HRID 2169890As productuspto-grants-2015_06

Compound notes

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