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3,2'-Dihydroxy-4,5-dimethoxybibenzyl

CAT: 0013-GTR19179928Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179928Size:5 mg
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Description
This bibenzyl derivative (CAS 212116-72-8) is a natural product used in life science research. It has been investigated in vitro for its potential biological activities, including studies related to antioxidant and anti-inflammatory properties.
CAS Number
212116-72-8
Smiles
COc (cc (CCc (cccc1) c1O) cc1O) c1OC
Molecular Formula
C16H18O4
Molecular Weight
274.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,2'-Dihydroxy-4,5-dimethoxybibenzyl

5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol has been reported in Dioscorea oppositifolia and Empetrum nigrum with data available.

CAS Number212116-72-8
PubChem CID10754781
IUPAC Name5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol
Molecular FormulaC16H18O4
Molecular Weight274.31
XLogP3.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity284
SMILES
COC1=CC(=CC(=C1OC)O)CCC2=CC=CC=C2O
InChI
InChI=1S/C16H18O4/c1-19-15-10-11(9-14(18)16(15)20-2)7-8-12-5-3-4-6-13(12)17/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKey
UKTGWJQYLXXLOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,2'-Dihydroxy-4,5-dimethoxybibenzyl
CAS: 212116-72-8
CID: 10754781
Formula: C16H18O4
MW: 274.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.31
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass274.12050905
Monoisotopic Mass274.12050905
Topological Polar Surface Area58.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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