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

• ChemBase ID: 200466
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: C\1(=C\c2c(OC)cccc2)/C(=O)c2c(O1)cc(OCc1ccc(cc1)OC)cc2
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccccc1OC)/C2=O
• InChI: InChI=1S/C24H20O5/c1-26-18-9-7-16(8-10-18)15-28-19-11-12-20-22(14-19)29-23(24(20)25)13-17-5-3-4-6-21(17)27-2/h3-14H,15H2,1-2H3/b23-13-
• InChIKey: XZBYDGAVSZQZPF-QRVIBDJDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256376
• PubChem CID: 1757941

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: 42.41174 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