2,3,4,9-tetramethyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 196836
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c12c3c(cc(=O)oc3cc(c2c(c(o1)C)C)C)C
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c1c2oc(c1C)C)C
• InChI: InChI=1S/C15H14O3/c1-7-5-11-14(8(2)6-12(16)18-11)15-13(7)9(3)10(4)17-15/h5-6H,1-4H3
• InChIKey: CQDXLVWXVIBMET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,9-tetramethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 2,3,4,9-tetramethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164252746
• PubChem CID: 907401

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4682817
• LogD (pH = 7.4): 3.4682817
• Log P: 3.4682817
• Molar Refractivity: 69.9038 cm^3
• Polarizability: 27.209389 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds