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4,4'-Dihydroxy-trans-a-methylstilbene

CAT: 0572-TRC-D452490-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D452490-100MGSize:100 mg
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CAS Number
35752-78-4
Synonyms
4,4'-[(1E)-1-Methyl-1,2-ethenediyl]bis-phenol
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
C\C(=C/c1ccc(O)cc1)\c2ccc(O)cc2
Molecular Formula
C15 H14 O2
Molecular Weight
226.27
InChI
InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+
Additionnal Information
IUPAC name: 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4,4'-(1E)-prop-1-ene-1,2-diyldiphenol

4,4'-dihydroxy-alpha-methylstilbene is a stilbenol. It has a role as a mouse metabolite.

CAS Number35752-78-4
PubChem CID5282240
IUPAC Name4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol
Molecular FormulaC15H14O2
Molecular Weight226.27
XLogP4.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity256
SMILES
C/C(=C\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
InChI
InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+
InChIKey
PMNXCGMIMVLCRP-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-(1E)-prop-1-ene-1,2-diyldiphenol
CAS: 35752-78-4
CID: 5282240
Formula: C15H14O2
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.099379685
Monoisotopic Mass226.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity256
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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433598-014,4'-Dihydroxy-trans-α-methylstilbene discontinued
4335994,4'-Dihydroxy-trans-α-methylstilbene-d3
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sc-4861994-Methylstilbene
4310784-Bromo-4'-methylstilbene
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MBS58250642-(trans-1,4-Dihydroxy-cyclohexyl)-5,7-dihydroxy-chromone

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