(2E)-3-(2,4-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one

• ChemBase ID: 121614
• Molecular Formular: C19H20O5
• Molecular Mass: 328.3591
• Monoisotopic Mass: 328.13107374
• SMILES: c1(C(=O)/C=C/c2c(cc(cc2)OC)OC)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)/C=C/C(=O)c1cc(OC)ccc1OC
• InChI: InChI=1S/C19H20O5/c1-21-14-8-10-18(23-3)16(11-14)17(20)9-6-13-5-7-15(22-2)12-19(13)24-4/h5-12H,1-4H3/b9-6+
• InChIKey: AODFDEJGWCSWNW-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(2,4-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
• IUPAC Traditional name: (2E)-3-(2,4-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
• Synonyms: (E)-3-(2,4-dimethoxyphenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one

Database IDs

• PubChem SID: 162215967
• PubChem CID: 5908100

CALCULATED PROPERTIES

• Acid pKa: 15.906425
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2596402
• LogD (pH = 7.4): 3.2596402
• Log P: 3.2596402
• Molar Refractivity: 92.7298 cm^3
• Polarizability: 35.402374 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds