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

• ChemBase ID: 182669
• Molecular Formular: C19H16O3
• Molecular Mass: 292.32854
• Monoisotopic Mass: 292.10994437
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=C)C)cc2)c1ccccc1
• Canonical SMILES: CC(=C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C19H16O3/c1-13(2)12-21-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)22-18(16)10-15/h3-11H,1,12H2,2H3
• InChIKey: JWHGCZOESVRVIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238579
• PubChem CID: 701624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.033498
• LogD (pH = 7.4): 4.033498
• Log P: 4.033498
• Molar Refractivity: 95.0092 cm^3
• Polarizability: 33.092827 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds