5-(4-methoxyphenyl)-3,9-dimethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187995
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c12c(c(c3c(c2)c(co3)C)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(C)coc1c2C
• InChI: InChI=1S/C20H16O4/c1-11-10-23-19-12(2)20-17(8-15(11)19)16(9-18(21)24-20)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
• InChIKey: XAMPSLQPWGFHRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-3,9-dimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243905
• PubChem CID: 707772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.244853
• LogD (pH = 7.4): 4.244853
• Log P: 4.244853
• Molar Refractivity: 100.488 cm^3
• Polarizability: 35.708412 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