5,6-dimethyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 194708
• Molecular Formular: C23H16O3
• Molecular Mass: 340.37134
• Monoisotopic Mass: 340.10994437
• SMILES: c1(c2c(oc(=O)c1C)cc1c(c(co1)c1cc3c(cc1)cccc3)c2)C
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1C)C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H16O3/c1-13-14(2)23(24)26-22-11-21-19(10-18(13)22)20(12-25-21)17-8-7-15-5-3-4-6-16(15)9-17/h3-12H,1-2H3
• InChIKey: LHZDUOMXEDIQAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-3-(naphthalen-2-yl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5,6-dimethyl-3-(naphthalen-2-yl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250618
• PubChem CID: 906901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2741303
• LogD (pH = 7.4): 5.2741303
• Log P: 5.2741303
• Molar Refractivity: 100.6152 cm^3
• Polarizability: 42.40222 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds