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

• ChemBase ID: 186989
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c12c(c(oc1cc1c(c(cc(=O)o1)C)c2)C)c1ccccc1
• Canonical SMILES: O=c1cc(C)c2c(o1)cc1c(c2)c(c(o1)C)c1ccccc1
• InChI: InChI=1S/C19H14O3/c1-11-8-18(20)22-16-10-17-15(9-14(11)16)19(12(2)21-17)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: RBZNRVMSQYVLPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242899
• PubChem CID: 707681

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0886645
• LogD (pH = 7.4): 4.0886645
• Log P: 4.0886645
• Molar Refractivity: 84.9576 cm^3
• Polarizability: 34.70523 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