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Dihydropinosylvin methyl ether

CAT: 0013-GTR19183539Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183539Size:5 mg
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Description
Dihydropinosylvin methyl ether is a naturally occurring stilbenoid compound. It serves as a research chemical for investigating plant defense mechanisms and has been utilized in both in vitro and in vivo studies to explore potential bioactive properties.
CAS Number
17635-59-5
Field of Research
Infectious Disease & Virology
Smiles
COc1cc (O) cc (CCc2ccccc2) c1
Molecular Formula
C15H16O2
Molecular Weight
228.2863
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Methoxy-5-(2-phenylethyl)phenol

Dihydropinosylvin methyl ether has been reported in Bursaphelenchus xylophilus, Pinus cembra, and other organisms with data available.

CAS Number17635-59-5
PubChem CID636980
IUPAC Name3-methoxy-5-(2-phenylethyl)phenol
Molecular FormulaC15H16O2
Molecular Weight228.29
XLogP3.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity211
SMILES
COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2
InChI
InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
InChIKey
HPEFWCAKFRCLBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-5-(2-phenylethyl)phenol
CAS: 17635-59-5
CID: 636980
Formula: C15H16O2
MW: 228.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.29
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass228.115029749
Monoisotopic Mass228.115029749
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity211
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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