HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4'-Acetoxy-3,5-bis(methoxymethoxy)stilbene

HCID 67170243
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCOc1cc(C=Cc2ccc(OC(C)=O)cc2)cc(OCOC)c1
InChIKey
TZTGESNRHUMVJV-UHFFFAOYSA-N
Molecular formula
C20H22O6
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
4'-Acetoxy-3,5-bis(methoxymethoxy)stilbene
IUPAC
[4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate

Names & synonyms

SCHEMBL1811104TZTGESNRHUMVJV-UHFFFAOYSA-N4'-acetoxy-3,5-bis(methoxymethoxy)stilbene

Database identifiers

PubChem CID
67170243

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
63.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
414

Related reactions

5 records
New reaction record
HRID 78868 reaction equation
HRID 78868As productuspto-grants-2014_09
HRID 78869 reaction equation
HRID 78869As reactantuspto-grants-2014_09
HRID 308232 reaction equation
HRID 308232As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2236329 reaction equation
HRID 2236329As productuspto-grants-2010_05
HRID 2236330 reaction equation
HRID 2236330As reactantuspto-grants-2010_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes