4-(7-methoxy-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one

• ChemBase ID: 201040
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)C)oc2c(c1)cccc2OC
• Canonical SMILES: COc1cccc2c1oc(c2)c1cc(=O)oc2c1cc(C)cc2
• InChI: InChI=1S/C19H14O4/c1-11-6-7-15-13(8-11)14(10-18(20)22-15)17-9-12-4-3-5-16(21-2)19(12)23-17/h3-10H,1-2H3
• InChIKey: CGADRYYCWWWZTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-methoxy-1-benzofuran-2-yl)-6-methyl-2H-chromen-2-one
• IUPAC Traditional name: 4-(7-methoxy-1-benzofuran-2-yl)-6-methylchromen-2-one

Database IDs

• PubChem SID: 164256950
• PubChem CID: 908697

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6514328
• LogD (pH = 7.4): 3.6514328
• Log P: 3.6514328
• Molar Refractivity: 95.3243 cm^3
• Polarizability: 33.950798 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