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

• ChemBase ID: 193154
• Molecular Formular: C24H22O3
• Molecular Mass: 358.42968
• Monoisotopic Mass: 358.15689456
• SMILES: C1(=C(C(c2c(O1)cccc2)c1ccccc1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C1=C(C)C(c2c(O1)cccc2)c1ccccc1
• InChI: InChI=1S/C24H22O3/c1-16-23(17-9-5-4-6-10-17)19-11-7-8-12-20(19)27-24(16)18-13-14-21(25-2)22(15-18)26-3/h4-15,23H,1-3H3
• InChIKey: CRUJUVBDNKOWQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249064
• PubChem CID: 5188876

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1008573
• LogD (pH = 7.4): 5.1008573
• Log P: 5.1008573
• Molar Refractivity: 108.06 cm^3
• Polarizability: 41.71573 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds