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

• ChemBase ID: 199892
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: C\1(=C\c2c(c(OC)ccc2)OC)/C(=O)c2c(O1)cc(OCc1ccccc1)cc2
• Canonical SMILES: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C24H20O5/c1-26-20-10-6-9-17(24(20)27-2)13-22-23(25)19-12-11-18(14-21(19)29-22)28-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3/b22-13-
• InChIKey: YVOPWSASDINVMU-XKZIYDEJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164255802
• PubChem CID: 1756555

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: 42.41406 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