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

• ChemBase ID: 196044
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1cc(OC)ccc1)C)C
• Canonical SMILES: COc1cccc(c1)c1coc2c1c(C)cc1c2c(C)cc(=O)o1
• InChI: InChI=1S/C20H16O4/c1-11-7-16-19(12(2)8-17(21)24-16)20-18(11)15(10-23-20)13-5-4-6-14(9-13)22-3/h4-10H,1-3H3
• InChIKey: NGMOQYVMDURJJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251954
• PubChem CID: 907257

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: 91.3123 cm^3
• Polarizability: 37.187965 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