(4E)-4-[(2,4-dimethoxyphenyl)imino]-2-(4-methoxyphenyl)-4H-chromen-6-ol

• ChemBase ID: 186510
• Molecular Formular: C24H21NO5
• Molecular Mass: 403.42724
• Monoisotopic Mass: 403.14197278
• SMILES: c\1(=N/c2c(cc(cc2)OC)OC)/cc(oc2c1cc(cc2)O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2ccc(cc2OC)OC)/c2c(o1)ccc(c2)O
• InChI: InChI=1S/C24H21NO5/c1-27-17-7-4-15(5-8-17)23-14-21(19-12-16(26)6-11-22(19)30-23)25-20-10-9-18(28-2)13-24(20)29-3/h4-14,26H,1-3H3/b25-21+
• InChIKey: DGQRGAIBIANUOG-NJNXFGOHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-4-[(2,4-dimethoxyphenyl)imino]-2-(4-methoxyphenyl)-4H-chromen-6-ol
• IUPAC Traditional name: (4E)-4-[(2,4-dimethoxyphenyl)imino]-2-(4-methoxyphenyl)chromen-6-ol

Database IDs

• PubChem SID: 164242420
• PubChem CID: 1801619

CALCULATED PROPERTIES

• Acid pKa: 8.889994
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.3523855
• LogD (pH = 7.4): 4.338816
• Log P: 4.3525643
• Molar Refractivity: 117.0873 cm^3
• Polarizability: 43.6585 Å^3
• Polar Surface Area: 69.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds