3,4,8,9-tetramethyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 194005
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c12c(c(c(=O)oc2cc(c2c1occ2C)C)C)C
• Canonical SMILES: Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C
• InChI: InChI=1S/C15H14O3/c1-7-5-11-13(9(3)10(4)15(16)18-11)14-12(7)8(2)6-17-14/h5-6H,1-4H3
• InChIKey: VGNGGUFPGSNEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,8,9-tetramethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 3,4,8,9-tetramethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164249915
• PubChem CID: 906688

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6642709
• LogD (pH = 7.4): 3.6642709
• Log P: 3.6642709
• Molar Refractivity: 69.1112 cm^3
• Polarizability: 27.288853 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