3-(2-methoxyphenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-ol

• ChemBase ID: 193615
• Molecular Formular: C24H22O4
• Molecular Mass: 374.42908
• Monoisotopic Mass: 374.15180918
• SMILES: C1(=COc2c(C1O)ccc(c2)OCc1ccc(cc1)C)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1=COc2c(C1O)ccc(c2)OCc1ccc(cc1)C
• InChI: InChI=1S/C24H22O4/c1-16-7-9-17(10-8-16)14-27-18-11-12-20-23(13-18)28-15-21(24(20)25)19-5-3-4-6-22(19)26-2/h3-13,15,24-25H,14H2,1-2H3
• InChIKey: XXSCFIHQVZYJOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-ol
• IUPAC Traditional name: 3-(2-methoxyphenyl)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-ol

Database IDs

• PubChem SID: 164249525
• PubChem CID: 3667379

CALCULATED PROPERTIES

• Acid pKa: 13.392634
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.6755576
• LogD (pH = 7.4): 4.675557
• Log P: 4.6755576
• Molar Refractivity: 108.8436 cm^3
• Polarizability: 42.23057 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds