2-methyl-5-(5-methylfuran-2-carbonyl)furan

• ChemBase ID: 238433
• Molecular Formular: C11H10O3
• Molecular Mass: 190.1953
• Monoisotopic Mass: 190.06299418
• SMILES: c1(C(=O)c2oc(cc2)C)oc(cc1)C
• Canonical SMILES: O=C(c1ccc(o1)C)c1ccc(o1)C
• InChI: InChI=1S/C11H10O3/c1-7-3-5-9(13-7)11(12)10-6-4-8(2)14-10/h3-6H,1-2H3
• InChIKey: LZUHTHMSVAOAKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(5-methylfuran-2-carbonyl)furan
• IUPAC Traditional name: 2-methyl-5-(5-methylfuran-2-carbonyl)furan
• Synonyms: 2-methyl-5-[(5-methylfuran-2-yl)carbonyl]furan; Bis-(5-methyl-furan-2-yl)-methanone

Database IDs

• MDL Number: MFCD16087018
• PubChem SID: 164294343
• PubChem CID: 61713731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9522148
• LogD (pH = 7.4): 1.9522148
• Log P: 1.9522148
• Molar Refractivity: 51.7147 cm^3
• Polarizability: 19.268948 Å^3
• Polar Surface Area: 43.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.53

Product Information

• Purity: 95%; 97%