4-(1-benzofuran-2-yl)-6-ethyl-2H-chromen-2-one

• ChemBase ID: 201782
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)CC)oc2c(c1)cccc2
• Canonical SMILES: CCc1ccc2c(c1)c(cc(=O)o2)c1cc2c(o1)cccc2
• InChI: InChI=1S/C19H14O3/c1-2-12-7-8-17-14(9-12)15(11-19(20)22-17)18-10-13-5-3-4-6-16(13)21-18/h3-11H,2H2,1H3
• InChIKey: COSHDDBSEXFYGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzofuran-2-yl)-6-ethyl-2H-chromen-2-one
• IUPAC Traditional name: 4-(1-benzofuran-2-yl)-6-ethylchromen-2-one

Database IDs

• PubChem SID: 164257692
• PubChem CID: 826890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2536726
• LogD (pH = 7.4): 4.2536726
• Log P: 4.2536726
• Molar Refractivity: 93.4621 cm^3
• Polarizability: 33.289753 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds