(1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one

• ChemBase ID: 181685
• Molecular Formular: C21H22O5
• Molecular Mass: 354.39638
• Monoisotopic Mass: 354.1467238
• SMILES: C(=C\C(=O)/C=C/c1c(cc(cc1)OC)OC)/c1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1/C=C/C(=O)/C=C/c1ccc(cc1OC)OC
• InChI: InChI=1S/C21H22O5/c1-23-18-11-7-15(20(13-18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)14-21(16)26-4/h5-14H,1-4H3/b9-5+,10-6+
• InChIKey: KSZJPQHIPKEEMF-NXZHAISVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
• IUPAC Traditional name: (1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one

Database IDs

• PubChem SID: 164237595
• PubChem CID: 1352182

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.1944585
• LogD (pH = 7.4): 4.1944585
• Log P: 4.1944585
• Molar Refractivity: 102.88 cm^3
• Polarizability: 38.934525 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds