2-(2-hydroxyethoxy)benzamide

• ChemBase ID: 274089
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: c1(C(=O)N)c(OCCO)cccc1
• Canonical SMILES: OCCOc1ccccc1C(=O)N
• InChI: InChI=1S/C9H11NO3/c10-9(12)7-3-1-2-4-8(7)13-6-5-11/h1-4,11H,5-6H2,(H2,10,12)
• InChIKey: AKHALQJNHJAYRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethoxy)benzamide
• IUPAC Traditional name: 2-(2-hydroxyethoxy)benzamide
• Synonyms: 2-(2-hydroxyethoxy)benzamide

Database IDs

• MDL Number: MFCD00025473
• PubChem SID: 164329999
• PubChem CID: 45167

CALCULATED PROPERTIES

• Acid pKa: 13.661747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.02388721
• LogD (pH = 7.4): -0.023886973
• Log P: -0.023887167
• Molar Refractivity: 47.8919 cm^3
• Polarizability: 18.173855 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): -0.107

Product Information

• Purity: 95%