(3E)-3-{2-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]ethylidene}-1,3-dihydro-2-benzofuran-1-one

• ChemBase ID: 121932
• Molecular Formular: C18H10O4
• Molecular Mass: 290.2696
• Monoisotopic Mass: 290.0579088
• SMILES: C1(=O)O/C(=C/C=C\2/OC(=O)c3c2cccc3)/c2c1cccc2
• Canonical SMILES: O=C1O/C(=C/C=C\2/OC(=O)c3c2cccc3)/c2c1cccc2
• InChI: InChI=1S/C18H10O4/c19-17-13-7-3-1-5-11(13)15(21-17)9-10-16-12-6-2-4-8-14(12)18(20)22-16/h1-10H/b15-9+,16-10+
• InChIKey: QXPDWUXFKREUGF-KAVGSWPWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-3-{2-[(1E)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]ethylidene}-1,3-dihydro-2-benzofuran-1-one
• IUPAC Traditional name: (3E)-3-{2-[(1E)-3-oxo-2-benzofuran-1-ylidene]ethylidene}-2-benzofuran-1-one
• Synonyms: (3E,3'E)-3,3'-(ethane-1,2-diylidene)bis(isobenzofuran-1(3H)-one)

Database IDs

• PubChem SID: 162216285
• PubChem CID: 5401896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9167185
• LogD (pH = 7.4): 2.9167185
• Log P: 2.9167185
• Molar Refractivity: 83.144 cm^3
• Polarizability: 30.63095 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true