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

Technical Data

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Computed Properties

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

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

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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

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