[4-(octyloxy)phenyl]methanol

• ChemBase ID: 112645
• Molecular Formular: C15H24O2
• Molecular Mass: 236.34986
• Monoisotopic Mass: 236.17763001
• SMILES: CCCCCCCCOc1ccc(CO)cc1
• Canonical SMILES: CCCCCCCCOc1ccc(cc1)CO
• InChI: InChI=1S/C15H24O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,16H,2-7,12-13H2,1H3
• InChIKey: BVSGXVHDNMPZSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(octyloxy)phenyl]methanol
• IUPAC Traditional name: [4-(octyloxy)phenyl]methanol
• Synonyms: p-OCTYLOXYBENZYL ALCOHOL

Database IDs

• PubChem SID: 162106763
• PubChem CID: 144261

CALCULATED PROPERTIES

• Acid pKa: 15.021567
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1503983
• LogD (pH = 7.4): 4.1503983
• Log P: 4.1503983
• Molar Refractivity: 71.6147 cm^3
• Polarizability: 28.205814 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225127

MP Biomedicals Rare Chemical collection