4-(2-Imidazolyl)phenol - CAS 15548-89-7
Catalog: |
BB011124 |
Product Name: |
4-(2-Imidazolyl)phenol |
CAS: |
15548-89-7 |
Synonyms: |
4-(1H-imidazol-2-yl)phenol; 4-(1H-imidazol-2-yl)phenol |
IUPAC Name: | 4-(1H-imidazol-2-yl)phenol |
Description: | 4-(2-Imidazolyl)phenol (CAS# 15548-89-7) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | C1=CC(=CC=C1C2=NC=CN2)O |
InChI: | InChI=1S/C9H8N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6,12H,(H,10,11) |
InChI Key: | DIBXSCRTXGVRFD-UHFFFAOYSA-N |
LogP: | 0.46970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021203016-A2 | Protein-protein interaction stabilizers | 20200403 |
US-2020354318-A1 | Thiosemicarbazates and uses thereof | 20190509 |
US-2020354344-A1 | Compounds for use in synthesis of peptidomimetics | 20190509 |
US-2020354404-A1 | Peptidomimetic agents, synthesis and uses thereof | 20190509 |
WO-2020227588-A1 | Peptidomimetic agents, synthesis and uses thereof | 20190509 |
PMID | Publication Date | Title | Journal |
17090040 | 20061115 | Characterization of the phenoxyl radical in model complexes for the Cu(B) site of cytochrome c oxidase: steady-state and transient absorption measurements, UV resonance raman spectroscopy, EPR spectroscopy, and DFT calculations for M-BIAIP | Journal of the American Chemical Society |
16820845 | 20060721 | Model studies of the Cu(B) site of cytochrome c oxidase utilizing a Zn(II) complex containing an imidazole-phenol cross-linked ligand | Dalton transactions (Cambridge, England : 2003) |
15732964 | 20050307 | Dioxygen reactivity of copper and heme-copper complexes possessing an imidazole-phenol cross-link | Inorganic chemistry |
12785812 | 20030521 | Copper(I) and copper(II) complexes possessing cross-linked imidazole-phenol ligands: structures and dioxygen reactivity | Journal of the American Chemical Society |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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