2,2,5,10-tetramethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-8-one

• ChemBase ID: 200154
• Molecular Formular: C16H18O3
• Molecular Mass: 258.31232
• Monoisotopic Mass: 258.12559444
• SMILES: c12c3c(cc(=O)oc3cc(c1CCC(O2)(C)C)C)C
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c1c2OC(C)(C)CC1)C
• InChI: InChI=1S/C16H18O3/c1-9-7-12-14(10(2)8-13(17)18-12)15-11(9)5-6-16(3,4)19-15/h7-8H,5-6H2,1-4H3
• InChIKey: RSHMTRLNXHBPIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5,10-tetramethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-8-one
• IUPAC Traditional name: 2,2,5,10-tetramethyl-3H,4H-pyrano[2,3-f]chromen-8-one

Database IDs

• PubChem SID: 164256064
• PubChem CID: 908397

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6201131
• LogD (pH = 7.4): 3.6201131
• Log P: 3.6201131
• Molar Refractivity: 74.3026 cm^3
• Polarizability: 28.379606 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds