5-methyl-1-benzofuran-2-carbaldehyde

• ChemBase ID: 274900
• Molecular Formular: C10H8O2
• Molecular Mass: 160.16932
• Monoisotopic Mass: 160.0524295
• SMILES: o1c(cc2c1ccc(c2)C)C=O
• Canonical SMILES: O=Cc1cc2c(o1)ccc(c2)C
• InChI: InChI=1S/C10H8O2/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-6H,1H3
• InChIKey: WPUWQBYGLWXSRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-benzofuran-2-carbaldehyde
• IUPAC Traditional name: 5-methyl-1-benzofuran-2-carbaldehyde
• Synonyms: 5-methyl-1-benzofuran-2-carbaldehyde

Database IDs

• MDL Number: MFCD11574552
• PubChem SID: 164330810
• PubChem CID: 10678534

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.278294
• LogD (pH = 7.4): 2.278294
• Log P: 2.278294
• Molar Refractivity: 46.4018 cm^3
• Polarizability: 18.382397 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.554

Product Information

• Purity: 95%