2-ethyl-1-benzofuran-3-carbaldehyde

• ChemBase ID: 17182
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: c12c(c(oc1cccc2)CC)C=O
• Canonical SMILES: CCc1oc2c(c1C=O)cccc2
• InChI: InChI=1S/C11H10O2/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3
• InChIKey: LVRCCWCFOHNTLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-benzofuran-3-carbaldehyde
• IUPAC Traditional name: 2-ethyl-1-benzofuran-3-carbaldehyde
• Synonyms: 2-Ethyl-benzofuran-3-carbaldehyde; 2-ethyl-1-benzofuran-3-carbaldehyde

Database IDs

• CAS Number: 10035-41-3
• MDL Number: MFCD01823092
• PubChem SID: 160980489
• PubChem CID: 3159652

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5669553
• LogD (pH = 7.4): 2.5669553
• Log P: 2.5669553
• Molar Refractivity: 51.1568 cm^3
• Polarizability: 20.226297 Å^3
• Polar Surface Area: 30.21 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.083

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%