8-acetyl-9-ethyl-4-methyl-2H-furo[2,3-h]chromen-2-one

• ChemBase ID: 188727
• Molecular Formular: C16H14O4
• Molecular Mass: 270.27996
• Monoisotopic Mass: 270.08920893
• SMILES: c1(c2c3c(c(cc(=O)o3)C)ccc2oc1C(=O)C)CC
• Canonical SMILES: CCc1c(oc2c1c1oc(=O)cc(c1cc2)C)C(=O)C
• InChI: InChI=1S/C16H14O4/c1-4-10-14-12(19-15(10)9(3)17)6-5-11-8(2)7-13(18)20-16(11)14/h5-7H,4H2,1-3H3
• InChIKey: YQPFMLGSSPWXGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-acetyl-9-ethyl-4-methyl-2H-furo[2,3-h]chromen-2-one
• IUPAC Traditional name: 8-acetyl-9-ethyl-4-methylfuro[2,3-h]chromen-2-one

Database IDs

• PubChem SID: 164244637
• PubChem CID: 881364

CALCULATED PROPERTIES

• Molar Refractivity: 74.5942 cm^3
• Polarizability: 29.26661 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.587404
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6775162
• LogD (pH = 7.4): 2.6775162
• Log P: 2.6775162

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds