1-[(4E)-2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-2-phenylhydrazine

• ChemBase ID: 182556
• Molecular Formular: C22H18N2O2
• Molecular Mass: 342.39052
• Monoisotopic Mass: 342.13682783
• SMILES: c1(c/c(=N\Nc2ccccc2)/c2c(o1)cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N\Nc2ccccc2)/c2c(o1)cccc2
• InChI: InChI=1S/C22H18N2O2/c1-25-18-13-11-16(12-14-18)22-15-20(19-9-5-6-10-21(19)26-22)24-23-17-7-3-2-4-8-17/h2-15,23H,1H3/b24-20+
• InChIKey: ASOJXKFVUXPWIN-HIXSDJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4E)-2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-2-phenylhydrazine
• IUPAC Traditional name: 1-[(4E)-2-(4-methoxyphenyl)chromen-4-ylidene]-2-phenylhydrazine

Database IDs

• PubChem SID: 164238466
• PubChem CID: 5562213

CALCULATED PROPERTIES

• Acid pKa: 16.38352
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.9071326
• LogD (pH = 7.4): 4.923652
• Log P: 4.924578
• Molar Refractivity: 105.1721 cm^3
• Polarizability: 39.196457 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds