(2Z)-6-(benzyloxy)-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 201714
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: C\1(=C\c2cc(c(cc2)OC)OC)/C(=O)c2c(O1)cc(OCc1ccccc1)cc2
• Canonical SMILES: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C24H20O5/c1-26-20-11-8-17(12-22(20)27-2)13-23-24(25)19-10-9-18(14-21(19)29-23)28-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3/b23-13-
• InChIKey: NEAWGPIIWSHCSQ-QRVIBDJDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-(benzyloxy)-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-(benzyloxy)-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164257624
• PubChem CID: 1761472

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.4537334
• LogD (pH = 7.4): 4.4537334
• Log P: 4.4537334
• Molar Refractivity: 111.0485 cm^3
• Polarizability: 42.411766 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds