2,3,4-trimethyl-9-phenyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 186904
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c3oc(c(c3c(cc2oc(=O)cc1c1ccccc1)C)C)C
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1)c1ccccc1)oc(c3C)C
• InChI: InChI=1S/C20H16O3/c1-11-9-16-19(20-18(11)12(2)13(3)22-20)15(10-17(21)23-16)14-7-5-4-6-8-14/h4-10H,1-3H3
• InChIKey: MBDBUSOFVNUVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-trimethyl-9-phenyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164242814
• PubChem CID: 707839

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6020856
• LogD (pH = 7.4): 4.6020856
• Log P: 4.6020856
• Molar Refractivity: 99.1745 cm^3
• Polarizability: 34.975002 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds