4-phenyl-7-(propan-2-yloxy)-2H-chromen-2-one

• ChemBase ID: 190446
• Molecular Formular: C18H16O3
• Molecular Mass: 280.31784
• Monoisotopic Mass: 280.10994437
• SMILES: c1(c2c(oc(=O)c1)cc(OC(C)C)cc2)c1ccccc1
• Canonical SMILES: CC(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C
• InChI: InChI=1S/C18H16O3/c1-12(2)20-14-8-9-15-16(13-6-4-3-5-7-13)11-18(19)21-17(15)10-14/h3-12H,1-2H3
• InChIKey: OGYPYAGJTSGSLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-7-(propan-2-yloxy)-2H-chromen-2-one
• IUPAC Traditional name: 7-isopropoxy-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164246356
• PubChem CID: 843230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.83227
• LogD (pH = 7.4): 3.83227
• Log P: 3.83227
• Molar Refractivity: 90.7319 cm^3
• Polarizability: 31.4867 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds