(4E)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine

• ChemBase ID: 201343
• Molecular Formular: C23H19NO3
• Molecular Mass: 357.40186
• Monoisotopic Mass: 357.13649347
• SMILES: c\1(=N/c2c(OC)cccc2)/cc(oc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2ccccc2OC)/c2c(o1)cccc2
• InChI: InChI=1S/C23H19NO3/c1-25-17-13-11-16(12-14-17)23-15-20(18-7-3-5-9-21(18)27-23)24-19-8-4-6-10-22(19)26-2/h3-15H,1-2H3/b24-20+
• InChIKey: AHAXQURLMNPFTJ-HIXSDJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)chromen-4-imine

Database IDs

• PubChem SID: 164257253
• PubChem CID: 1285743

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8137994
• LogD (pH = 7.4): 4.8138013
• Log P: 4.8138013
• Molar Refractivity: 108.6432 cm^3
• Polarizability: 40.556087 Å^3
• Polar Surface Area: 40.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds