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3,3′,5′-Trihydroxy-4-methoxybibenzyl

CAT: 0013-GTR19242854-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242854-01Size:1 mg
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Description
3,3′,5′-Trihydroxy-4-methoxybibenzyl is a natural product that exhibits affinity for calmodulin in bovine brain in the presence of calcium. This compound is utilized in biochemical research to study calmodulin-mediated signaling pathways in vitro.
CAS Number
60640-97-3
Product Name Alternative
Resorcinol, 5- (3-hydroxy-4-methoxyphenethyl) -
Field of Research
Neuroscience
Purity
99.54% (May vary between batches)
Smiles
OC=1C=C (O) C=C (C1) CCC2=CC=C (OC) C (O) =C2
Molecular Formula
C15H16O4
Molecular Weight
260.29
Storage Conditions
Keep away from direct sunlight, store under nitrogen | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol

1,3-Benzenediol, 5-(2-(3-hydroxy-4-methoxyphenyl)ethyl)- has been reported in Dendrobium devonianum and Glycyrrhiza glabra with data available.

CAS Number60640-97-3
PubChem CID11459623
IUPAC Name5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzene-1,3-diol
Molecular FormulaC15H16O4
Molecular Weight260.28
XLogP2.4
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity261
SMILES
COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C15H16O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3
InChIKey
XYWLGCOVGGWHHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol
CAS: 60640-97-3
CID: 11459623
Formula: C15H16O4
MW: 260.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.28
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass260.10485899
Monoisotopic Mass260.10485899
Topological Polar Surface Area69.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity261
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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