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

• ChemBase ID: 188096
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CC)c2)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C25H18O3/c1-2-16-12-25(26)28-24-14-23-21(13-20(16)24)22(15-27-23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,2H2,1H3
• InChIKey: GARNCPLIDPEOSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244006
• PubChem CID: 1774134

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.980897
• LogD (pH = 7.4): 5.980897
• Log P: 5.980897
• Molar Refractivity: 109.5451 cm^3
• Polarizability: 45.867916 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