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

• ChemBase ID: 186300
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c12c(c(c3c(c2)c(co3)C)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)c(co1)C
• InChI: InChI=1S/C19H14O3/c1-11-10-21-18-12(2)19-16(8-14(11)18)15(9-17(20)22-19)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: QMPHYTYJKYYCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242210
• PubChem CID: 707729

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: 33.20969 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