9-ethyl-4-methyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 195296
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)c1ccc(cc1)c1ccccc1)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c1occ(c1c(c2)C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H20O3/c1-3-17-14-23(27)29-22-13-16(2)24-21(15-28-26(24)25(17)22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3
• InChIKey: TUOJBIXKXZXIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-4-methyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 9-ethyl-4-methyl-3-(4-phenylphenyl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164251206
• PubChem CID: 1748664

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4943185
• LogD (pH = 7.4): 6.4943185
• Log P: 6.4943185
• Molar Refractivity: 114.5863 cm^3
• Polarizability: 47.633244 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds