[4-(2-methoxyethyl)phenyl]methanol

• ChemBase ID: 247074
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(ccc(cc1)CCOC)CO
• Canonical SMILES: OCc1ccc(cc1)CCOC
• InChI: InChI=1S/C10H14O2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,11H,6-8H2,1H3
• InChIKey: YRRXFACJFHQACB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-methoxyethyl)phenyl]methanol
• IUPAC Traditional name: [4-(2-methoxyethyl)phenyl]methanol
• Synonyms: [4-(2-methoxyethyl)phenyl]methanol

Database IDs

• MDL Number: MFCD19596968
• PubChem SID: 164302984
• PubChem CID: 59759121

CALCULATED PROPERTIES

• Acid pKa: 15.04058
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.370334
• LogD (pH = 7.4): 1.370334
• Log P: 1.370334
• Molar Refractivity: 49.196 cm^3
• Polarizability: 18.91973 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.011

Product Information

• Purity: 95%