[3-(3-phenylpropoxy)phenyl]methanol

• ChemBase ID: 273416
• Molecular Formular: C16H18O2
• Molecular Mass: 242.31292
• Monoisotopic Mass: 242.13067982
• SMILES: c1c(OCCCc2ccccc2)cccc1CO
• Canonical SMILES: OCc1cccc(c1)OCCCc1ccccc1
• InChI: InChI=1S/C16H18O2/c17-13-15-8-4-10-16(12-15)18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,17H,5,9,11,13H2
• InChIKey: IGBNGYKBRLIGHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(3-phenylpropoxy)phenyl]methanol
• IUPAC Traditional name: [3-(3-phenylpropoxy)phenyl]methanol
• Synonyms: [3-(3-phenylpropoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD11524432
• PubChem SID: 164329326
• PubChem CID: 28562026

CALCULATED PROPERTIES

• Acid pKa: 14.940296
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5059278
• LogD (pH = 7.4): 3.5059278
• Log P: 3.5059278
• Molar Refractivity: 73.3057 cm^3
• Polarizability: 28.52496 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.499

Product Information

• Purity: 95%