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

• ChemBase ID: 285712
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(OC(C)C)cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)OC(C)C
• InChI: InChI=1S/C10H14O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8,11H,7H2,1-2H3
• InChIKey: RUGUAVWZSRINHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(propan-2-yloxy)phenyl]methanol
• IUPAC Traditional name: (3-isopropoxyphenyl)methanol
• Synonyms: [3-(propan-2-yloxy)phenyl]methanol

Database IDs

• MDL Number: MFCD06201145
• PubChem SID: 180671243
• PubChem CID: 2759474

CALCULATED PROPERTIES

• Acid pKa: 14.938996
• 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: 18.982983 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.861

Product Information

• Purity: 95%