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

• ChemBase ID: 42639
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: C(#C)COc1c(CO)cccc1
• Canonical SMILES: C#CCOc1ccccc1CO
• InChI: InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h1,3-6,11H,7-8H2
• InChIKey: RVSYWNCLODDMRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 130441-68-8
• MDL Number: MFCD03001302
• PubChem SID: 162047402
• PubChem CID: 2764526

CALCULATED PROPERTIES

• Acid pKa: 14.698654
• 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: 17.883734 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38 - 40 °C; 38-40°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%