5,7-bis[(2-methylprop-2-en-1-yl)oxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 182251
• Molecular Formular: C23H22O4
• Molecular Mass: 362.41838
• Monoisotopic Mass: 362.15180918
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCC(=C)C)OCC(=C)C)c1ccccc1
• Canonical SMILES: CC(=C)COc1cc(OCC(=C)C)cc2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C23H22O4/c1-15(2)13-25-18-10-20(26-14-16(3)4)23-19(17-8-6-5-7-9-17)12-22(24)27-21(23)11-18/h5-12H,1,3,13-14H2,2,4H3
• InChIKey: PRHPFRIJPZGERS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-bis[(2-methylprop-2-en-1-yl)oxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 5,7-bis[(2-methylprop-2-en-1-yl)oxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164238161
• PubChem CID: 1803508

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8504376
• LogD (pH = 7.4): 4.8504376
• Log P: 4.8504376
• Molar Refractivity: 114.9171 cm^3
• Polarizability: 40.892403 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds