3-(acetyloxy)-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl acetate

• ChemBase ID: 177426
• Molecular Formular: C18H16O5
• Molecular Mass: 312.31664
• Monoisotopic Mass: 312.09977361
• SMILES: c1(cc(cc(c1)/C=C\c1ccc(cc1)O)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)Oc1cc(/C=C\c2ccc(cc2)O)cc(c1)OC(=O)C
• InChI: InChI=1S/C18H16O5/c1-12(19)22-17-9-15(10-18(11-17)23-13(2)20)4-3-14-5-7-16(21)8-6-14/h3-11,21H,1-2H3/b4-3-
• InChIKey: YBTSXNIAKDYGPK-ARJAWSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(acetyloxy)-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl acetate
• IUPAC Traditional name: 3-(acetyloxy)-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl acetate
• Synonyms: cis 3,5-Di-O-acetylresveratrol; 5-[(1Z)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol 1,3-Diacetate; cis 3,5-Diacetoxy-4’-hydroxy Stilbene; cis Resveratrol 3,5-Diacetate

Database IDs

• PubChem SID: 164233336
• PubChem CID: 71752013

CALCULATED PROPERTIES

• Polarizability: 32.968998 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 9.496126
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.224
• LogD (pH = 7.4): 3.220597
• Log P: 3.2240434
• Molar Refractivity: 85.7585 cm^3

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Light-Yellow Oil

DETAILS

Toronto Research Chemicals - R150070

Protected cis Resveratrol .