[4-(ethoxymethoxy)phenyl]methanol

• ChemBase ID: 245931
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: C(Oc1ccc(cc1)CO)OCC
• Canonical SMILES: CCOCOc1ccc(cc1)CO
• InChI: InChI=1S/C10H14O3/c1-2-12-8-13-10-5-3-9(7-11)4-6-10/h3-6,11H,2,7-8H2,1H3
• InChIKey: VXTLFGATOHUJQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21195843
• PubChem SID: 164301841
• PubChem CID: 12022970

CALCULATED PROPERTIES

• Acid pKa: 15.010659
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4681581
• LogD (pH = 7.4): 1.4681581
• Log P: 1.4681581
• Molar Refractivity: 49.9387 cm^3
• Polarizability: 19.676294 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.919

Product Information

• Purity: 95%