6,7-dimethoxy-2,2-dimethyl-2H-chromene

• ChemBase ID: 176875
• Molecular Formular: C13H16O3
• Molecular Mass: 220.26434
• Monoisotopic Mass: 220.10994437
• SMILES: c1(c(cc2c(c1)OC(C=C2)(C)C)OC)OC
• Canonical SMILES: COc1cc2OC(C)(C)C=Cc2cc1OC
• InChI: InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
• InChIKey: PTIDGSWTMLSGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2,2-dimethyl-2H-chromene
• IUPAC Traditional name: precocene II
• Synonyms: 6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran; 6,7-Dimethoxy-2,2-dimethylchromene; Ageratochromene; Precocene 2

Database IDs

• CAS Number: 644-06-4
• PubChem SID: 164232785
• PubChem CID: 12565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5585268
• LogD (pH = 7.4): 2.5585268
• Log P: 2.5585268
• Molar Refractivity: 63.3778 cm^3
• Polarizability: 24.34794 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Pale Green Solid
• Melting Point: 42-44°C

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Classification: Rare Genuine Natural Compounds

DETAILS

Toronto Research Chemicals - P703350

Anti-juvenile hormones found in plants that induce reversible precocious metamorphosis and sterilization in insects by suppressing the function of the corpora allata gland.

REFERENCES

• Soderlund, D.M., et al.: J. Agric. Food Chem., 724 (1780)
• Bowers, W.S., Am. Zool., 21, 737 (1780)