(2Z)-6-(benzyloxy)-2-(2H-chromen-3-ylmethylidene)-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 210452
• Molecular Formular: C25H18O4
• Molecular Mass: 382.40802
• Monoisotopic Mass: 382.12050906
• SMILES: C\1(=C\C2=Cc3c(OC2)cccc3)/C(=O)c2c(O1)cc(OCc1ccccc1)cc2
• Canonical SMILES: O=C1/C(=C/C2=Cc3c(OC2)cccc3)/Oc2c1ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C25H18O4/c26-25-21-11-10-20(27-15-17-6-2-1-3-7-17)14-23(21)29-24(25)13-18-12-19-8-4-5-9-22(19)28-16-18/h1-14H,15-16H2/b24-13-
• InChIKey: LZNRPCZCGZQZHD-CFRMEGHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-(benzyloxy)-2-(2H-chromen-3-ylmethylidene)-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-(benzyloxy)-2-(2H-chromen-3-ylmethylidene)-1-benzofuran-3-one

Database IDs

• PubChem SID: 164266362
• PubChem CID: 1792265

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6197877
• LogD (pH = 7.4): 4.6197877
• Log P: 4.6197877
• Molar Refractivity: 112.6993 cm^3
• Polarizability: 42.620037 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds