(4-{2-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methanol

• ChemBase ID: 170776
• Molecular Formular: C33H26N4O
• Molecular Mass: 494.58574
• Monoisotopic Mass: 494.21066147
• SMILES: c1cc(c(cc1)c1ccc(cc1)CO)c1n(nnn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: OCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H26N4O/c38-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-34-35-36-37(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23,38H,24H2
• InChIKey: QTMWXNFBOZZDCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{2-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methanol
• IUPAC Traditional name: (4-{2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methanol
• Synonyms: 2'-[1-(Triphenylmethyl)-1H-tetrazol-5-yl]-[1,1'-biphenyl]-4-methanol; 5-[4'-Hydroxymethyl-(1,1'-biphenyl)-2-yl]-1-triphenylmethyltetrazole

Database IDs

• CAS Number: 154709-18-9
• PubChem SID: 164226686
• PubChem CID: 15114593

CALCULATED PROPERTIES

• Acid pKa: 14.980058
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 7.414313
• LogD (pH = 7.4): 7.414313
• Log P: 7.414313
• Molar Refractivity: 175.6385 cm^3
• Polarizability: 59.74718 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate,
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - H946465

Intermediate in the preparation of Losartan impurity J.