(2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(4-ethenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 209838
• Molecular Formular: C27H20O4
• Molecular Mass: 408.4453
• Monoisotopic Mass: 408.13615912
• SMILES: C\1(=C\C2=Cc3c(OC2)cccc3)/C(=O)c2c(O1)cc(OCc1ccc(C=C)cc1)cc2
• Canonical SMILES: C=Cc1ccc(cc1)COc1ccc2c(c1)O/C(=C\C1=Cc3c(OC1)cccc3)/C2=O
• InChI: InChI=1S/C27H20O4/c1-2-18-7-9-19(10-8-18)16-29-22-11-12-23-25(15-22)31-26(27(23)28)14-20-13-21-5-3-4-6-24(21)30-17-20/h2-15H,1,16-17H2/b26-14-
• InChIKey: IJIANUKZJZQJBX-WGARJPEWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(4-ethenylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-(2H-chromen-3-ylmethylidene)-6-[(4-ethenylphenyl)methoxy]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164265748
• PubChem CID: 1788439

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3564897
• LogD (pH = 7.4): 5.3564897
• Log P: 5.3564897
• Molar Refractivity: 122.3856 cm^3
• Polarizability: 46.144047 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds