(2Z)-6-methoxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 201371
• Molecular Formular: C19H16O4
• Molecular Mass: 308.32794
• Monoisotopic Mass: 308.10485899
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)/C2=O
• InChI: InChI=1S/C19H16O4/c1-21-14-10-11-15-18(12-14)23-17(19(15)20)9-5-7-13-6-3-4-8-16(13)22-2/h3-12H,1-2H3/b7-5+,17-9-
• InChIKey: ISBDQEIOXDWDSA-GIADAODISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-methoxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-methoxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164257281
• PubChem CID: 1759706

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4141474
• LogD (pH = 7.4): 3.4141474
• Log P: 3.4141474
• Molar Refractivity: 90.2913 cm^3
• Polarizability: 33.750008 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds