4-(6-methoxy-3-methyl-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one

• ChemBase ID: 200495
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)C)oc2c(c1C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)c1cc(=O)oc2c1cc(C)cc2
• InChI: InChI=1S/C20H16O4/c1-11-4-7-17-15(8-11)16(10-19(21)23-17)20-12(2)14-6-5-13(22-3)9-18(14)24-20/h4-10H,1-3H3
• InChIKey: PKIGPQQIQVCLTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methoxy-3-methyl-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one
• IUPAC Traditional name: 4-(6-methoxy-3-methyl-1-benzofuran-2-yl)-6-methylchromen-2-one

Database IDs

• PubChem SID: 164256405
• PubChem CID: 908520

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.164854
• LogD (pH = 7.4): 4.164854
• Log P: 4.164854
• Molar Refractivity: 100.3655 cm^3
• Polarizability: 35.708134 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds