2-(2-methylpropoxy)phenol

• ChemBase ID: 311961
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: O(c1c(O)cccc1)CC(C)C
• Canonical SMILES: CC(COc1ccccc1O)C
• InChI: InChI=1S/C10H14O2/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6,8,11H,7H2,1-2H3
• InChIKey: PBVUSKGIFXCUMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropoxy)phenol
• IUPAC Traditional name: 2-(2-methylpropoxy)phenol
• Synonyms: 2-isobutoxyphenol

Database IDs

• CAS Number: 21315-20-8
• MDL Number: MFCD00474627

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7562976
• LogD (pH = 7.4): 2.755132
• Log P: 2.7563124
• Molar Refractivity: 48.2463 cm^3
• Polarizability: 18.9754 Å^3
• Polar Surface Area: 29.46 Å^2