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

• ChemBase ID: 186649
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CC)c2)c1ccc(cc1)OC
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)OC
• InChI: InChI=1S/C20H16O4/c1-3-12-8-20(21)24-19-10-18-16(9-15(12)19)17(11-23-18)13-4-6-14(22-2)7-5-13/h4-11H,3H2,1-2H3
• InChIKey: MIMDFQORCOFNTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242559
• PubChem CID: 707743

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1760006
• LogD (pH = 7.4): 4.1760006
• Log P: 4.1760006
• Molar Refractivity: 90.8721 cm^3
• Polarizability: 37.262894 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds