Structure Database (LMSD)
Common Name
alpha,alpha'-diethyl-3,4,4'-stilbenetriol
Systematic Name
Synonyms
- 3,4,4'-trihydroxy-alpha,alpha'-diethylstilbene
- (E)-4-[1-ethyl-2-(4-hydroxyphenyl)-1-butenyl]-1,2-benzenediol
3D model of alpha,alpha'-diethyl-3,4,4'-stilbenetriol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KEEHONPEZXWUDM-ISLYRVAYSA-N
InChi (Click to copy)
InChI=1S/C18H20O3/c1-3-17(12-5-7-14(19)8-6-12)18(4-2)13-9-15(20)11-16(21)10-13/h5-11,19-21H,3-4H2,1-2H3/b18-17+
SMILES (Click to copy)
C1=C(O)C=C(/C(/CC)=C(\CC)/C2=CC=C(O)C=C2)C=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
2
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
281.33
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
4.53
Molar Refractivity
85.27
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Created at
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Updated at
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