[2-methyl-3-(2H5)phenylphenyl]methanol

• ChemBase ID: 173389
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(cccc(c1C)CO)c1ccccc1
• Canonical SMILES: OCc1cccc(c1C)c1ccccc1
• InChI: InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
• InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-methyl-3-(^2H₅)phenylphenyl]methanol
• IUPAC Traditional name: [2-methyl-3-(^2H₅)phenylphenyl]methanol
• Synonyms: 2-Methyl-[1,1'-biphenyl]-3-methanol-d5; 2-Methyl-3-phenylbenzyl-d5 Alcohol; 2-Methylbiphenyl-3-ylmethanol-d5; 3-Hydroxymethyl-2-methylbiphenyl-d5; 2-Methyl-3-biphenylmethanol-d5

Database IDs

• PubChem SID: 164229299
• PubChem CID: 71750229

CALCULATED PROPERTIES

• Acid pKa: 14.989897
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3665428
• LogD (pH = 7.4): 3.3665428
• Log P: 3.3665428
• Molar Refractivity: 63.0513 cm^3
• Polarizability: 25.654104 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Off-White Solid

DETAILS

Toronto Research Chemicals - M294132

Labelled Bifenthrin intermediate.

REFERENCES

• Hamed, M., et al.: J. Econ. Entomol., 81, 1295 (1988)
• Ruzo, Luis O., et al.: J. Agric. Food Chem., 36, 1040 (1988)