5-(4-methoxyphenyl)-2,3-dimethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188047
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(c(o1)C)C)c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C20H16O4/c1-11-12(2)23-18-10-19-17(8-15(11)18)16(9-20(21)24-19)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
• InChIKey: GOPSJQKWHHRHKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-2,3-dimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-(4-methoxyphenyl)-2,3-dimethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243957
• PubChem CID: 707775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.930993
• LogD (pH = 7.4): 3.930993
• Log P: 3.930993
• Molar Refractivity: 100.5965 cm^3
• Polarizability: 35.70571 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds