1-(2-methoxyphenyl)propan-2-ol

• ChemBase ID: 147426
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: CC(Cc1ccccc1OC)O
• Canonical SMILES: COc1ccccc1CC(O)C
• InChI: InChI=1S/C10H14O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8,11H,7H2,1-2H3
• InChIKey: ROVATSABYKBNCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)propan-2-ol
• IUPAC Traditional name: 1-(2-methoxyphenyl)propan-2-ol
• Synonyms: 1-(2-Methoxyphenyl)-2-propanol; 1-(2-methoxyphenyl)propan-2-ol; 1-(2-甲氧苯基)-2-丙醇

Database IDs

• CAS Number: 15541-26-1
• MDL Number: MFCD00009726
• PubChem SID: 162241614
• PubChem CID: 578887

CALCULATED PROPERTIES

• Acid pKa: 15.494574
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.753461
• LogD (pH = 7.4): 1.753461
• Log P: 1.753461
• Molar Refractivity: 48.5109 cm^3
• Polarizability: 18.910265 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >113 °C; >235.4 °F
• Density: 1.035 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.529(lit.)
• Hydrophobicity(logP): 1.561

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 95%; 98%
• Linear Formula: CH3OC6H4CH2CH(OH)CH3

DETAILS

Sigma Aldrich - 233773

Packaging
1, 10 g in glass bottle