7-[(2-methylprop-2-en-1-yl)oxy]-3-phenyl-4H-chromen-4-one

• ChemBase ID: 201980
• Molecular Formular: C19H16O3
• Molecular Mass: 292.32854
• Monoisotopic Mass: 292.10994437
• SMILES: c1(c(=O)c2c(oc1)cc(OCC(=C)C)cc2)c1ccccc1
• Canonical SMILES: CC(=C)COc1ccc2c(c1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C19H16O3/c1-13(2)11-21-15-8-9-16-18(10-15)22-12-17(19(16)20)14-6-4-3-5-7-14/h3-10,12H,1,11H2,2H3
• InChIKey: ABSFYAOTEVNLDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-methylprop-2-en-1-yl)oxy]-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-[(2-methylprop-2-en-1-yl)oxy]-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164257890
• PubChem CID: 909021

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.154508
• LogD (pH = 7.4): 4.154508
• Log P: 4.154508
• Molar Refractivity: 85.6481 cm^3
• Polarizability: 33.07762 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