(4-ethoxy-3,5-dimethylphenyl)methanol

• ChemBase ID: 269192
• Molecular Formular: C11H16O2
• Molecular Mass: 180.24354
• Monoisotopic Mass: 180.11502975
• SMILES: c1(c(cc(cc1C)CO)C)OCC
• Canonical SMILES: CCOc1c(C)cc(cc1C)CO
• InChI: InChI=1S/C11H16O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-6,12H,4,7H2,1-3H3
• InChIKey: UOOGLSVZYTVPBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxy-3,5-dimethylphenyl)methanol
• IUPAC Traditional name: (4-ethoxy-3,5-dimethylphenyl)methanol
• Synonyms: (4-ethoxy-3,5-dimethylphenyl)methanol

Database IDs

• MDL Number: MFCD11188447
• PubChem SID: 164325102
• PubChem CID: 28933320

CALCULATED PROPERTIES

• Acid pKa: 15.10524
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4318755
• LogD (pH = 7.4): 2.4318755
• Log P: 2.4318755
• Molar Refractivity: 54.1681 cm^3
• Polarizability: 20.67237 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.55

Product Information

• Purity: 95%