4-ethyl-8,8,10-trimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one

• ChemBase ID: 203943
• Molecular Formular: C17H20O3
• Molecular Mass: 272.3389
• Monoisotopic Mass: 272.1412445
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OC(CC2)(C)C
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CCC(Oc1c2C)(C)C
• InChI: InChI=1S/C17H20O3/c1-5-11-9-14(18)19-16-10(2)15-12(8-13(11)16)6-7-17(3,4)20-15/h8-9H,5-7H2,1-4H3
• InChIKey: ILIPKHIGOZYNBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-8,8,10-trimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
• IUPAC Traditional name: 4-ethyl-8,8,10-trimethyl-6H,7H-pyrano[3,2-g]chromen-2-one

Database IDs

• PubChem SID: 164259853
• PubChem CID: 1767308

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.064682
• LogD (pH = 7.4): 4.064682
• Log P: 4.064682
• Molar Refractivity: 78.9036 cm^3
• Polarizability: 30.220991 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds