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Ethyl 3-(5,6,7-trimethoxynaphthalen-2-yl)propenoate

HCID 68436859
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C=Cc1ccc2c(OC)c(OC)c(OC)cc2c1
InChIKey
SIYOMTMESYDHEY-UHFFFAOYSA-N
Molecular formula
C18H20O5
Average molar mass
316.3 g/mol

Names & identifiers

Preferred name
Ethyl 3-(5,6,7-trimethoxynaphthalen-2-yl)propenoate
IUPAC
ethyl 3-(5,6,7-trimethoxynaphthalen-2-yl)prop-2-enoate

Names & synonyms

SCHEMBL2909167SIYOMTMESYDHEY-UHFFFAOYSA-Nethyl 3-(5,6,7-trimethoxynaphthalen-2-yl)propenoate

Database identifiers

PubChem CID
68436859

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
408

Related reactions

6 records
New reaction record
HRID 293252 reaction equation
HRID 293252As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 720313 reaction equation
HRID 720313As productuspto-grants-2006_11
HRID 720314 reaction equation
HRID 720314As reactantuspto-grants-2006_11
HRID 987421 reaction equation
HRID 987421As productuspto-grants-2003_10
HRID 987422 reaction equation
HRID 987422As reactantuspto-grants-2003_10
HRID 1547890 reaction equation
HRID 1547890As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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