(4E)-2-(4-methoxyphenyl)-N-(3-methylphenyl)-4H-chromen-4-imine

• ChemBase ID: 188433
• Molecular Formular: C23H19NO2
• Molecular Mass: 341.40246
• Monoisotopic Mass: 341.14157885
• SMILES: c\1(=N/c2cc(ccc2)C)/cc(oc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\c2cccc(c2)C)/c2c(o1)cccc2
• InChI: InChI=1S/C23H19NO2/c1-16-6-5-7-18(14-16)24-21-15-23(17-10-12-19(25-2)13-11-17)26-22-9-4-3-8-20(21)22/h3-15H,1-2H3/b24-21+
• InChIKey: VOESZTWPOUBRTQ-DARPEHSRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-2-(4-methoxyphenyl)-N-(3-methylphenyl)-4H-chromen-4-imine
• IUPAC Traditional name: (4E)-2-(4-methoxyphenyl)-N-(3-methylphenyl)chromen-4-imine

Database IDs

• PubChem SID: 164244343
• PubChem CID: 1781070

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.4848504
• LogD (pH = 7.4): 5.4848933
• Log P: 5.484894
• Molar Refractivity: 107.2212 cm^3
• Polarizability: 39.827515 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds