2-(2-methoxyethyl)phenol

• ChemBase ID: 172976
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: c1ccc(c(c1)CCOC)O
• Canonical SMILES: COCCc1ccccc1O
• InChI: InChI=1S/C9H12O2/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3
• InChIKey: KLOHRGVQRCCZIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)phenol
• IUPAC Traditional name: 2-(2-methoxyethyl)phenol
• Synonyms: 2-(2-Methoxyethyl)phenol; o-(2-Methoxyethyl)phenol

Database IDs

• CAS Number: 330976-39-1
• PubChem SID: 164228886
• PubChem CID: 22645935

CALCULATED PROPERTIES

• Acid pKa: 10.171903
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8341092
• LogD (pH = 7.4): 1.8333889
• Log P: 1.8341185
• Molar Refractivity: 44.361 cm^3
• Polarizability: 17.068512 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M262665

2-(2-Methoxyethyl)phenol is used as a stabilizer in the preparation of polysiloxane based coating compounds with good stability.