(2Z)-2-[(2-methoxyphenyl)methylidene]-6-(2-oxo-2-phenylethoxy)-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 202061
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: C\1(=C\c2c(OC)cccc2)/C(=O)c2c(O1)cc(OCC(=O)c1ccccc1)cc2
• Canonical SMILES: COc1ccccc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)c1ccccc1
• InChI: InChI=1S/C24H18O5/c1-27-21-10-6-5-9-17(21)13-23-24(26)19-12-11-18(14-22(19)29-23)28-15-20(25)16-7-3-2-4-8-16/h2-14H,15H2,1H3/b23-13-
• InChIKey: YKKIAZDLWJLKHE-QRVIBDJDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2-methoxyphenyl)methylidene]-6-(2-oxo-2-phenylethoxy)-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-[(2-methoxyphenyl)methylidene]-6-(2-oxo-2-phenylethoxy)-1-benzofuran-3-one

Database IDs

• PubChem SID: 164257971
• PubChem CID: 1763001

CALCULATED PROPERTIES

• Acid pKa: 16.67123
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.119154
• LogD (pH = 7.4): 4.119154
• Log P: 4.119154
• Molar Refractivity: 109.8744 cm^3
• Polarizability: 41.79109 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds