{3-ethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl}methanol

• ChemBase ID: 262963
• Molecular Formular: C14H17NO4
• Molecular Mass: 263.28908
• Monoisotopic Mass: 263.11575803
• SMILES: n1c(cc(o1)C)COc1c(CO)cccc1OCC
• Canonical SMILES: CCOc1cccc(c1OCc1noc(c1)C)CO
• InChI: InChI=1S/C14H17NO4/c1-3-17-13-6-4-5-11(8-16)14(13)18-9-12-7-10(2)19-15-12/h4-7,16H,3,8-9H2,1-2H3
• InChIKey: YTYNSVHBBMPMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-ethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl}methanol
• IUPAC Traditional name: {3-ethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl}methanol
• Synonyms: {3-ethoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl}methanol

Database IDs

• MDL Number: MFCD12545506
• PubChem SID: 164318873
• PubChem CID: 43366724

CALCULATED PROPERTIES

• Acid pKa: 14.638366
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6174124
• LogD (pH = 7.4): 1.6174132
• Log P: 1.6174132
• Molar Refractivity: 71.231 cm^3
• Polarizability: 27.027952 Å^3
• Polar Surface Area: 64.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.307

Product Information

• Purity: 95%