[2-(propan-2-yloxy)phenyl]methanol

• ChemBase ID: 312368
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(c(CO)cccc1)OC(C)C
• Canonical SMILES: OCc1ccccc1OC(C)C
• InChI: InChI=1S/C10H14O2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8,11H,7H2,1-2H3
• InChIKey: QPEGLRPZJGPWQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(propan-2-yloxy)phenyl]methanol
• IUPAC Traditional name: (2-isopropoxyphenyl)methanol
• Synonyms: (2-isopropoxyphenyl)methanol

Database IDs

• CAS Number: 82657-68-9
• MDL Number: MFCD08753017

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8216077
• LogD (pH = 7.4): 1.8216077
• Log P: 1.8216077
• Molar Refractivity: 48.5045 cm^3
• Polarizability: 18.98326 Å^3
• Polar Surface Area: 29.46 Å^2