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

• ChemBase ID: 187295
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c12c(cc(=O)oc2cc(c2c1occ2C)C)c1ccccc1
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1)c1ccccc1)occ3C
• InChI: InChI=1S/C19H14O3/c1-11-8-15-18(19-17(11)12(2)10-21-19)14(9-16(20)22-15)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: AXTZJFBZXCJFJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243205
• PubChem CID: 707838

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4025245
• LogD (pH = 7.4): 4.4025245
• Log P: 4.4025245
• Molar Refractivity: 94.0248 cm^3
• Polarizability: 33.210022 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