(4Z)-4-[(3,4-dimethylphenyl)imino]-2-(4-methoxyphenyl)-4H-chromen-6-ol

• ChemBase ID: 193085
• Molecular Formular: C24H21NO3
• Molecular Mass: 371.42844
• Monoisotopic Mass: 371.15214354
• SMILES: c\1(=N\c2cc(c(cc2)C)C)/cc(oc2c1cc(cc2)O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c/c(=N/c2ccc(c(c2)C)C)/c2c(o1)ccc(c2)O
• InChI: InChI=1S/C24H21NO3/c1-15-4-7-18(12-16(15)2)25-22-14-24(17-5-9-20(27-3)10-6-17)28-23-11-8-19(26)13-21(22)23/h4-14,26H,1-3H3/b25-22-
• InChIKey: QJYOKSOCSDDHRK-LVWGJNHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-4-[(3,4-dimethylphenyl)imino]-2-(4-methoxyphenyl)-4H-chromen-6-ol
• IUPAC Traditional name: (4Z)-4-[(3,4-dimethylphenyl)imino]-2-(4-methoxyphenyl)chromen-6-ol

Database IDs

• PubChem SID: 164248995
• PubChem CID: 1792632

CALCULATED PROPERTIES

• Acid pKa: 8.890682
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.6945143
• LogD (pH = 7.4): 5.6810226
• Log P: 5.69475
• Molar Refractivity: 114.2433 cm^3
• Polarizability: 42.16676 Å^3
• Polar Surface Area: 51.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds