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

• ChemBase ID: 261624
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: O(c1ccc(cc1)CO)C(C)C
• Canonical SMILES: OCc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C10H14O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
• InChIKey: ZNJLQCPPAZECMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(propan-2-yloxy)phenyl]methanol
• IUPAC Traditional name: (4-isopropoxyphenyl)methanol
• Synonyms: [4-(propan-2-yloxy)phenyl]methanol

Database IDs

• MDL Number: MFCD06202646
• PubChem SID: 164317534
• PubChem CID: 250081

CALCULATED PROPERTIES

• Acid pKa: 15.020497
• 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: 18.982943 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%