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

• ChemBase ID: 193379
• Molecular Formular: C23H19NO3
• Molecular Mass: 357.40186
• Monoisotopic Mass: 357.13649347
• SMILES: c\1(=N\c2cc(ccc2)C)/cc(oc2c1cc(cc2)O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1oc2ccc(cc2/c(=N\c2cccc(c2)C)/c1)O
• InChI: InChI=1S/C23H19NO3/c1-15-4-3-5-17(12-15)24-21-14-23(16-6-9-19(26-2)10-7-16)27-22-11-8-18(25)13-20(21)22/h3-14,25H,1-2H3/b24-21-
• InChIKey: FBRGMBUWXORKRD-FLFQWRMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249289
• PubChem CID: 1426694

CALCULATED PROPERTIES

• Acid pKa: 8.890679
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.181126
• LogD (pH = 7.4): 5.1676016
• Log P: 5.1813283
• Molar Refractivity: 109.2021 cm^3
• Polarizability: 40.401314 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