3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol

• ChemBase ID: 304378
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(cc(cc(c1)/C=C/c1ccc(cc1)O)O)OC
• Canonical SMILES: COc1cc(/C=C/c2ccc(cc2)O)cc(c1)O
• InChI: InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
• InChIKey: KUWZXOMQXYWKBS-NSCUHMNNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
• IUPAC Traditional name: resveratrol monomethyl ether
• Synonyms: 3,4'-Dihydroxy-5-methoxystilbene; Pinostilbene

Database IDs

• CAS Number: 42438-89-1

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 3.548185
• LogD (pH = 7.4): 3.5403888
• Log P: 3.548285
• Molar Refractivity: 71.9378 cm^3
• Polarizability: 27.237692 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 9.135715
• H Acceptors: 3

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 95.0