4,8,9-trimethyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 193961
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c12c(c(c(=O)oc2cc(c2c1occ2c1ccc(cc1)c1ccccc1)C)C)C
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1C)C)occ3c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H20O3/c1-15-13-22-24(16(2)17(3)26(27)29-22)25-23(15)21(14-28-25)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,1-3H3
• InChIKey: LHJYRKXYTIONNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8,9-trimethyl-3-(4-phenylphenyl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 4,8,9-trimethyl-3-(4-phenylphenyl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164249871
• PubChem CID: 3805453

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4453
• LogD (pH = 7.4): 6.4453
• Log P: 6.4453
• Molar Refractivity: 114.3424 cm^3
• Polarizability: 47.633167 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds