2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromene

• ChemBase ID: 185745
• Molecular Formular: C23H20O3
• Molecular Mass: 344.4031
• Monoisotopic Mass: 344.1412445
• SMILES: C1(=CC(c2c(O1)cccc2)c1ccccc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C1=CC(c2c(O1)cccc2)c1ccccc1
• InChI: InChI=1S/C23H20O3/c1-24-21-13-12-17(14-23(21)25-2)22-15-19(16-8-4-3-5-9-16)18-10-6-7-11-20(18)26-22/h3-15,19H,1-2H3
• InChIKey: LUANHEMKNMMQAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromene
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromene

Database IDs

• PubChem SID: 164241655
• PubChem CID: 2851463

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.857496
• LogD (pH = 7.4): 4.857496
• Log P: 4.857496
• Molar Refractivity: 103.778 cm^3
• Polarizability: 39.870228 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds