(2Z)-2-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-4-methoxycyclopent-4-ene-1,3-dione

• ChemBase ID: 304069
• Molecular Formular: C15H12O4
• Molecular Mass: 256.25338
• Monoisotopic Mass: 256.07355886
• SMILES: C1(=CC(=O)/C(=C(\C=C\c2ccccc2)/O)/C1=O)OC
• Canonical SMILES: COC1=CC(=O)/C(=C(\C=C\c2ccccc2)/O)/C1=O
• InChI: InChI=1S/C15H12O4/c1-19-13-9-12(17)14(15(13)18)11(16)8-7-10-5-3-2-4-6-10/h2-9,16H,1H3/b8-7+,14-11-
• InChIKey: WVXIJNYYNKDLPE-UWWXTLEHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-4-methoxycyclopent-4-ene-1,3-dione
• IUPAC Traditional name: lucidone
• Synonyms: Lucidone

Database IDs

• CAS Number: 19956-53-7

CALCULATED PROPERTIES

• Acid pKa: 3.7991328
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.53586274
• LogD (pH = 7.4): -1.0238847
• Log P: 2.238896
• Molar Refractivity: 74.4855 cm^3
• Polarizability: 26.981607 Å^3
• Polar Surface Area: 63.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Orange powder

Product Information

• Purity: 98.0