Structure Database (LMSD)

Common Name
Pinosylvin methyl ether
Systematic Name
Synonyms
  • 5-methoxy-3-stilbenol
LM ID
LMPK13090013
Formula
Exact Mass
Calculate m/z
226.09938
Status
Active

Classification

String Representations

InChiKey (Click to copy)
JVIXPWIEOVZVJC-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
SMILES (Click to copy)
C1=C(OC)C=C(/C=C/C2=CC=CC=C2)C=C1O

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 220.64
Topological Polar Surface Area 29.46
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.57
Molar Refractivity 70.03

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Created at
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Updated at
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