7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-methyl-3-phenyl-4H-chromen-4-one

• ChemBase ID: 197540
• Molecular Formular: C26H28O3
• Molecular Mass: 388.49872
• Monoisotopic Mass: 388.20384476
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OC/C=C(/CCC=C(C)C)\C)c1ccccc1
• Canonical SMILES: C/C(=C\COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C)/CCC=C(C)C
• InChI: InChI=1S/C26H28O3/c1-18(2)9-8-10-19(3)15-16-28-22-13-14-23-24(17-22)29-20(4)25(26(23)27)21-11-6-5-7-12-21/h5-7,9,11-15,17H,8,10,16H2,1-4H3/b19-15+
• InChIKey: ZLQQYXZGBYLQNO-XDJHFCHBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-methyl-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-methyl-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164253450
• PubChem CID: 1751278

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.4029303
• LogD (pH = 7.4): 6.4029303
• Log P: 6.4029303
• Molar Refractivity: 120.9433 cm^3
• Polarizability: 45.75886 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds