Structure Database (LMSD)

Common Name
2,5-dimethoxystilbene
Systematic Name
Synonyms
  • 1,4-dimethoxy-2-(2-phenylethenyl)benzene
LM ID
LMPK13090026
Formula
C16H16O2
Exact Mass
Calculate m/z
240.11503
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

String Representations

InChiKey (Click to copy)
KUPZMZKMMSWRSG-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C16H16O2/c1-17-15-10-11-16(18-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
SMILES (Click to copy)
C1=C(OC)C=C(/C=C/C2=CC=CC=C2)C(OC)=C1

Other Databases

KEGG ID
C15131
CHEBI ID
79649
PubChem CID
6183584

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 237.94
Topological Polar Surface Area 18.46
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.87
Molar Refractivity 74.92

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Updated at
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