(2Z)-6-[(4-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 207864
• Molecular Formular: C26H24O7
• Molecular Mass: 448.46456
• Monoisotopic Mass: 448.15220311
• SMILES: C\1(=C\c2cc(c(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OCc1ccc(cc1)OC)cc2
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C2=O
• InChI: InChI=1S/C26H24O7/c1-28-18-7-5-16(6-8-18)15-32-19-9-10-20-21(14-19)33-22(25(20)27)11-17-12-23(29-2)26(31-4)24(13-17)30-3/h5-14H,15H2,1-4H3/b22-11-
• InChIKey: VQCVSJOPIZUMOC-JJFYIABZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-[(4-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-[(4-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164263774
• PubChem CID: 1781589

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.138391
• LogD (pH = 7.4): 4.138391
• Log P: 4.138391
• Molar Refractivity: 123.9749 cm^3
• Polarizability: 47.45726 Å^3
• Polar Surface Area: 72.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds