2,5-dimethyl-3-phenyl-6-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 195963
• Molecular Formular: C22H20O3
• Molecular Mass: 332.3924
• Monoisotopic Mass: 332.1412445
• SMILES: c1(c(c(=O)oc2c1cc1c(c(oc1c2)C)c1ccccc1)C(C)C)C
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2)oc(=O)c(c1C)C(C)C
• InChI: InChI=1S/C22H20O3/c1-12(2)20-13(3)16-10-17-19(11-18(16)25-22(20)23)24-14(4)21(17)15-8-6-5-7-9-15/h5-12H,1-4H3
• InChIKey: ARSYMHQKQBYPCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-phenyl-6-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-isopropyl-2,5-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164251873
• PubChem CID: 1799759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2158027
• LogD (pH = 7.4): 5.2158027
• Log P: 5.2158027
• Molar Refractivity: 98.4643 cm^3
• Polarizability: 40.245987 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds