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

• ChemBase ID: 186661
• Molecular Formular: C23H19NO4
• Molecular Mass: 373.40126
• Monoisotopic Mass: 373.13140809
• SMILES: c\1(=N\c2ccc(cc2)OC)/cc(oc2c1cc(cc2)O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/N=c\1/cc(oc2c1cc(O)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C23H19NO4/c1-26-18-8-3-15(4-9-18)23-14-21(20-13-17(25)7-12-22(20)28-23)24-16-5-10-19(27-2)11-6-16/h3-14,25H,1-2H3/b24-21-
• InChIKey: GZBUZCUHQUUESZ-FLFQWRMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242571
• PubChem CID: 1191868

CALCULATED PROPERTIES

• Acid pKa: 8.890687
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.509996
• LogD (pH = 7.4): 4.4965086
• Log P: 4.510236
• Molar Refractivity: 110.6241 cm^3
• Polarizability: 41.140812 Å^3
• Polar Surface Area: 60.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds