(1R)-1-(5-methylfuran-2-yl)ethan-1-ol

• ChemBase ID: 281801
• Molecular Formular: C7H10O2
• Molecular Mass: 126.1531
• Monoisotopic Mass: 126.06807956
• SMILES: c1(oc(cc1)C)[C@H](O)C
• Canonical SMILES: Cc1ccc(o1)[C@H](O)C
• InChI: InChI=1S/C7H10O2/c1-5-3-4-7(9-5)6(2)8/h3-4,6,8H,1-2H3/t6-/m1/s1
• InChIKey: NYWUEUASUFTGQW-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(5-methylfuran-2-yl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(5-methylfuran-2-yl)ethanol
• Synonyms: (1R)-1-(5-methylfuran-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD14705969
• PubChem SID: 180667332
• PubChem CID: 28561290

CALCULATED PROPERTIES

• Acid pKa: 13.756281
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.88227904
• LogD (pH = 7.4): 0.88227886
• Log P: 0.88227904
• Molar Refractivity: 34.8333 cm^3
• Polarizability: 13.263231 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.088

Product Information

• Purity: 95%