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

• ChemBase ID: 201284
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)c2c(O1)cc(OCc1cc(OC)ccc1)cc2
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1cccc(c1)OC
• InChI: InChI=1S/C24H20O5/c1-26-18-8-6-16(7-9-18)13-23-24(25)21-11-10-20(14-22(21)29-23)28-15-17-4-3-5-19(12-17)27-2/h3-14H,15H2,1-2H3/b23-13-
• InChIKey: SAEPMONPKMUKKF-QRVIBDJDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257194
• PubChem CID: 1759514

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: 42.409485 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