[3-(prop-2-yn-1-yloxy)phenyl]methanol

• ChemBase ID: 271249
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: C(#C)COc1cc(CO)ccc1
• Canonical SMILES: C#CCOc1cccc(c1)CO
• InChI: InChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7,11H,6,8H2
• InChIKey: CJSZXTASUDBDKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(prop-2-yn-1-yloxy)phenyl]methanol
• IUPAC Traditional name: [3-(prop-2-yn-1-yloxy)phenyl]methanol
• Synonyms: [3-(prop-2-yn-1-yloxy)phenyl]methanol

Database IDs

• MDL Number: MFCD11149488
• PubChem SID: 164327159
• PubChem CID: 10797067

CALCULATED PROPERTIES

• Acid pKa: 14.934279
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2763078
• LogD (pH = 7.4): 1.2763078
• Log P: 1.2763078
• Molar Refractivity: 46.9173 cm^3
• Polarizability: 17.88346 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.623

Product Information

• Purity: 95%