2-(2-methoxyphenyl)propan-2-ol

• ChemBase ID: 269750
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(C(O)(C)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(O)(C)C
• InChI: InChI=1S/C10H14O2/c1-10(2,11)8-6-4-5-7-9(8)12-3/h4-7,11H,1-3H3
• InChIKey: YFCPNGWWGKAUHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)propan-2-ol
• IUPAC Traditional name: 2-(2-methoxyphenyl)propan-2-ol
• Synonyms: 2-(2-methoxyphenyl)propan-2-ol

Database IDs

• MDL Number: MFCD12068167
• PubChem SID: 164325660
• PubChem CID: 591999

CALCULATED PROPERTIES

• Acid pKa: 14.373098
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7453765
• LogD (pH = 7.4): 1.7453765
• Log P: 1.7453765
• Molar Refractivity: 48.3941 cm^3
• Polarizability: 18.982746 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.731

Product Information

• Purity: 95%