8-benzoyl-4,9-dimethyl-2H-furo[2,3-h]chromen-2-one

• ChemBase ID: 189060
• Molecular Formular: C20H14O4
• Molecular Mass: 318.32276
• Monoisotopic Mass: 318.08920893
• SMILES: c1(c(c2c3c(c(cc(=O)o3)C)ccc2o1)C)C(=O)c1ccccc1
• Canonical SMILES: O=c1cc(C)c2c(o1)c1c(cc2)oc(c1C)C(=O)c1ccccc1
• InChI: InChI=1S/C20H14O4/c1-11-10-16(21)24-20-14(11)8-9-15-17(20)12(2)19(23-15)18(22)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: UEYKQFKCXMRWNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzoyl-4,9-dimethyl-2H-furo[2,3-h]chromen-2-one
• IUPAC Traditional name: 8-benzoyl-4,9-dimethylfuro[2,3-h]chromen-2-one

Database IDs

• PubChem SID: 164244970
• PubChem CID: 899915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.134653
• LogD (pH = 7.4): 4.134653
• Log P: 4.134653
• Molar Refractivity: 90.1659 cm^3
• Polarizability: 35.344776 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds