(2Z)-2-[(4-methoxyphenyl)methylidene]-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 218965
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)c2c(O1)cc(cc2)OC/C=C/c1ccccc1
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC/C=C/c1ccccc1
• InChI: InChI=1S/C25H20O4/c1-27-20-11-9-19(10-12-20)16-24-25(26)22-14-13-21(17-23(22)29-24)28-15-5-8-18-6-3-2-4-7-18/h2-14,16-17H,15H2,1H3/b8-5+,24-16-
• InChIKey: YLZLEFUOMWCKHB-WWFWFNCGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(4-methoxyphenyl)methylidene]-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-[(4-methoxyphenyl)methylidene]-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran-3-one

Database IDs

• PubChem SID: 164274875
• PubChem CID: 16408899

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2213206
• LogD (pH = 7.4): 5.2213206
• Log P: 5.2213206
• Molar Refractivity: 114.9039 cm^3
• Polarizability: 43.428303 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds