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

• ChemBase ID: 188497
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CCC)c2)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H20O3/c1-2-6-20-13-26(27)29-25-15-24-22(14-21(20)25)23(16-28-24)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h3-5,7-16H,2,6H2,1H3
• InChIKey: YHGNTTKOVPPQOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244407
• PubChem CID: 1781139

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4254656
• LogD (pH = 7.4): 6.4254656
• Log P: 6.4254656
• Molar Refractivity: 114.1461 cm^3
• Polarizability: 47.714424 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds