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Pinosylvin mono methyl ether

CAT: 0926-FP66478-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FP66478-01Size:25 mg
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CAS Number
35302-70-6
Synonyms
(E) -3-Hydroxy-5-methoxystilbene; (E) -3-Methoxy-5- (2-phenylethenyl) phenol;5-Methoxy-3-stilbenol
MDL Number
MFCD00210546
Smiles
COC1=CC (=CC (=C1) O) /C=C/C2=CC=CC=C2
Molecular Formula
C15H14O2
Molecular Weight
226.27 g/mol
Controlled
No

Chemical Information

Pinosylvin monomethyl ether

Pinosylvin methyl ether is a stilbenoid.

CAS Number35302-70-6
PubChem CID5281719
IUPAC Name3-methoxy-5-[(E)-2-phenylethenyl]phenol
Molecular FormulaC15H14O2
Molecular Weight226.27
XLogP3.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity243
SMILES
COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2
InChI
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+
InChIKey
JVIXPWIEOVZVJC-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Pinosylvin monomethyl ether
CAS: 35302-70-6
CID: 5281719
Formula: C15H14O2
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass226.099379685
Monoisotopic Mass226.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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