7-methoxy-4-(7-methoxy-1-benzofuran-2-yl)-2H-chromen-2-one

• ChemBase ID: 195381
• Molecular Formular: C19H14O5
• Molecular Mass: 322.31146
• Monoisotopic Mass: 322.08412355
• SMILES: c1(c2c3c(oc(=O)c2)cc(cc3)OC)oc2c(c1)cccc2OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2c1cc2c(o1)c(OC)ccc2
• InChI: InChI=1S/C19H14O5/c1-21-12-6-7-13-14(10-18(20)23-17(13)9-12)16-8-11-4-3-5-15(22-2)19(11)24-16/h3-10H,1-2H3
• InChIKey: LGVNGNNLDKGLQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-(7-methoxy-1-benzofuran-2-yl)-2H-chromen-2-one
• IUPAC Traditional name: 7-methoxy-4-(7-methoxy-1-benzofuran-2-yl)chromen-2-one

Database IDs

• PubChem SID: 164251291
• PubChem CID: 907147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9803402
• LogD (pH = 7.4): 2.9803402
• Log P: 2.9803402
• Molar Refractivity: 96.7463 cm^3
• Polarizability: 34.69815 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds