2,5,6,9-tetramethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187062
• Molecular Formular: C21H18O3
• Molecular Mass: 318.36582
• Monoisotopic Mass: 318.12559444
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C21H18O3/c1-11-12(2)21(22)24-19-13(3)20-17(10-16(11)19)18(14(4)23-20)15-8-6-5-7-9-15/h5-10H,1-4H3
• InChIKey: PFXGCNJNJUHOMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6,9-tetramethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2,5,6,9-tetramethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242972
• PubChem CID: 707683

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9976363
• LogD (pH = 7.4): 4.9976363
• Log P: 4.9976363
• Molar Refractivity: 94.3559 cm^3
• Polarizability: 38.318245 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