6-ethyl-5,9-dimethyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 194627
• Molecular Formular: C27H22O3
• Molecular Mass: 394.46178
• Monoisotopic Mass: 394.15689456
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(c2C)occ1c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H22O3/c1-4-21-16(2)22-14-23-24(15-29-25(23)17(3)26(22)30-27(21)28)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3
• InChIKey: DHDXWYNKLXEAQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-5,9-dimethyl-3-(4-phenylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-ethyl-5,9-dimethyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250537
• PubChem CID: 1748270

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.8898687
• LogD (pH = 7.4): 6.8898687
• Log P: 6.8898687
• Molar Refractivity: 118.9434 cm^3
• Polarizability: 49.47834 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