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

• ChemBase ID: 201691
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: C\1(=C\c2cc(OC)ccc2)/C(=O)c2c(O1)cc(OCc1ccccc1)cc2
• Canonical SMILES: COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C23H18O4/c1-25-18-9-5-8-17(12-18)13-22-23(24)20-11-10-19(14-21(20)27-22)26-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3/b22-13-
• InChIKey: DFXHUWGVDDUZAX-XKZIYDEJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257601
• PubChem CID: 1761389

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.611405
• LogD (pH = 7.4): 4.611405
• Log P: 4.611405
• Molar Refractivity: 104.5853 cm^3
• Polarizability: 39.89969 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds