2-methyl-1-phenylundecan-2-ol

• ChemBase ID: 112677
• Molecular Formular: C18H30O
• Molecular Mass: 262.4302
• Monoisotopic Mass: 262.22966558
• SMILES: CCCCCCCCCC(C)(O)Cc1ccccc1
• Canonical SMILES: CCCCCCCCCC(Cc1ccccc1)(O)C
• InChI: InChI=1S/C18H30O/c1-3-4-5-6-7-8-12-15-18(2,19)16-17-13-10-9-11-14-17/h9-11,13-14,19H,3-8,12,15-16H2,1-2H3
• InChIKey: YUXGIROLNZPGIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-phenylundecan-2-ol
• IUPAC Traditional name: 2-methyl-1-phenylundecan-2-ol
• Synonyms: 2-METHYL-1-PHENYL UNDECANOL-2

Database IDs

• PubChem SID: 162106766
• PubChem CID: 44135625

CALCULATED PROPERTIES

• Acid pKa: 14.946451
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.826212
• LogD (pH = 7.4): 5.826212
• Log P: 5.826212
• Molar Refractivity: 83.4169 cm^3
• Polarizability: 33.030277 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225265

MP Biomedicals Rare Chemical collection