2-benzoyl-5-(dodecyloxy)phenol

• ChemBase ID: 109999
• Molecular Formular: C25H34O3
• Molecular Mass: 382.53566
• Monoisotopic Mass: 382.25079495
• SMILES: CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
• Canonical SMILES: CCCCCCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1
• InChI: InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3
• InChIKey: ARVUDIQYNJVQIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoyl-5-(dodecyloxy)phenol
• IUPAC Traditional name: 2-benzoyl-5-(dodecyloxy)phenol
• Synonyms: 4-DODECYLOXY-2-HYDROXYBENZOPHENONE

Database IDs

• CAS Number: 2985-59-3
• EC Number: 221-049-6
• PubChem SID: 162095553
• PubChem CID: 76330

CALCULATED PROPERTIES

• Molar Refractivity: 115.7592 cm^3
• Polarizability: 45.387398 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false
• Acid pKa: 8.068695
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 8.5006485
• LogD (pH = 7.4): 8.418148
• Log P: 8.501811

DETAILS

MP Biomedicals - 05213338

MP Biomedicals Rare Chemical collection