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

• ChemBase ID: 183863
• Molecular Formular: C17H10O3
• Molecular Mass: 262.2595
• Monoisotopic Mass: 262.06299418
• SMILES: c1(c2c(oc1)cc1oc(=O)ccc1c2)c1ccccc1
• Canonical SMILES: O=c1ccc2c(o1)cc1c(c2)c(co1)c1ccccc1
• InChI: InChI=1S/C17H10O3/c18-17-7-6-12-8-13-14(11-4-2-1-3-5-11)10-19-16(13)9-15(12)20-17/h1-10H
• InChIKey: BFXXEBJXJDDTNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239773
• PubChem CID: 678842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5897083
• LogD (pH = 7.4): 3.5897083
• Log P: 3.5897083
• Molar Refractivity: 75.5259 cm^3
• Polarizability: 31.095383 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