4-(1H-Imidazol-1-yl)phenol

C₉H₈N₂OCAS 10041-02-8160.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈N₂O
Molar mass: 160.18 g/mol
Exact mass: 160.0637 Da
Melting point: 196–198 °C
logP: 1.58Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10041-02-8

SMILES

Oc1ccc(-n2ccnc2)cc1

InChIKey

CYKCUAPYWQDIKR-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Phenol, 4-(1H-imidazol-1-yl)-
Phenol, p-imidazol-1-yl-
4-(1H-1-Imidazolyl)phenol
Ro 22-3582
4-(1-Imidazolyl)phenol
p-(Imidazolyl-1-yl)phenol
p-(Imidazol-1-yl)phenol
1-(4-Hydroxyphenyl)imidazole
1-(p-Hydroxyphenyl)imidazole
1-(4-Hydroxyphenyl)-1H-imidazole
N-(4-Hydroxyphenyl)imidazole

Work with 4-(1H-Imidazol-1-yl)phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-667 % similar 1-(4-Bromophenyl)imidazole10040-96-766 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-362 % similar 1-Phenylimidazole7164-98-961 % similar 1-(4-Fluorophenyl)imidazole21441-24-760 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-360 % similar (4-(1H-Imidazol-1-yl)phenyl)methanol86718-08-359 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Oxazol-5-yl)aniline1008-95-3 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-7 1-Methyl-2-formylbenzimidazole3012-80-4 N-(4-Cyanophenyl)acetamide35704-19-9 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-9 2-Amino-4-hydroxyquinoline42712-64-1 5-Amino-3-phenylisoxazole4369-55-5 2-Amino-8-hydroxyquinoline70125-16-5

Elsewhere

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