(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

• ChemBase ID: 200191
• Molecular Formular: C23H16O5
• Molecular Mass: 372.37014
• Monoisotopic Mass: 372.09977361
• SMILES: C\1(=C\c2oc(cc2)C)/C(=O)c2c(O1)cc(OC(=O)/C=C/c1ccccc1)cc2
• Canonical SMILES: O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(o1)C)/C2=O)/C=C/c1ccccc1
• InChI: InChI=1S/C23H16O5/c1-15-7-9-17(26-15)14-21-23(25)19-11-10-18(13-20(19)28-21)27-22(24)12-8-16-5-3-2-4-6-16/h2-14H,1H3/b12-8+,21-14-
• InChIKey: RMVUDZZMZNRVBR-UCBHFQESSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
• IUPAC Traditional name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

Database IDs

• PubChem SID: 164256101
• PubChem CID: 1805366

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6621084
• LogD (pH = 7.4): 4.6621084
• Log P: 4.6621084
• Molar Refractivity: 106.1355 cm^3
• Polarizability: 39.59564 Å^3
• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds