N-hydroxy-3-(3-methylphenoxy)propanamide

• ChemBase ID: 262826
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(CCOc1cc(ccc1)C)NO
• Canonical SMILES: ONC(=O)CCOc1cccc(c1)C
• InChI: InChI=1S/C10H13NO3/c1-8-3-2-4-9(7-8)14-6-5-10(12)11-13/h2-4,7,13H,5-6H2,1H3,(H,11,12)
• InChIKey: GMIBUONZOFCIDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-3-(3-methylphenoxy)propanamide
• IUPAC Traditional name: N-hydroxy-3-(3-methylphenoxy)propanamide
• Synonyms: N-hydroxy-3-(3-methylphenoxy)propanamide

Database IDs

• MDL Number: MFCD09944372
• PubChem SID: 164318736
• PubChem CID: 24705008

CALCULATED PROPERTIES

• Acid pKa: 8.883173
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2336888
• LogD (pH = 7.4): 1.219888
• Log P: 1.2338676
• Molar Refractivity: 51.9332 cm^3
• Polarizability: 20.141563 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.073

Product Information

• Purity: 95%