(2Z)-6-[(3-methylbut-2-en-1-yl)oxy]-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 200195
• Molecular Formular: C23H24O6
• Molecular Mass: 396.43306
• Monoisotopic Mass: 396.15728849
• SMILES: C\1(=C\c2c(cc(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(cc2)OCC=C(C)C
• Canonical SMILES: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC=C(C)C)OC
• InChI: InChI=1S/C23H24O6/c1-14(2)8-9-28-16-6-7-17-19(12-16)29-22(23(17)24)11-15-10-20(26-4)21(27-5)13-18(15)25-3/h6-8,10-13H,9H2,1-5H3/b22-11-
• InChIKey: WIGXNVXWALRMQR-JJFYIABZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-[(3-methylbut-2-en-1-yl)oxy]-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-[(3-methylbut-2-en-1-yl)oxy]-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164256105
• PubChem CID: 1757114

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.9328353
• LogD (pH = 7.4): 3.9328353
• Log P: 3.9328353
• Molar Refractivity: 112.0173 cm^3
• Polarizability: 42.47002 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds