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

• ChemBase ID: 202185
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c1(c2c3c(oc(=O)c2)cc(cc3)C)oc2c(c1C)cccc2
• Canonical SMILES: Cc1ccc2c(c1)oc(=O)cc2c1oc2c(c1C)cccc2
• InChI: InChI=1S/C19H14O3/c1-11-7-8-14-15(10-18(20)21-17(14)9-11)19-12(2)13-5-3-4-6-16(13)22-19/h3-10H,1-2H3
• InChIKey: ACJJIOZQIZLTSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-4-(3-methyl-1-benzofuran-2-yl)-2H-chromen-2-one
• IUPAC Traditional name: 7-methyl-4-(3-methyl-1-benzofuran-2-yl)chromen-2-one

Database IDs

• PubChem SID: 164258095
• PubChem CID: 909078

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3225255
• LogD (pH = 7.4): 4.3225255
• Log P: 4.3225255
• Molar Refractivity: 93.9023 cm^3
• Polarizability: 33.210594 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds