2-[1-(1H-imidazol-1-yl)vinyl]phenol

HCID 2805536

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Basic information

CAS: 74204-47-0
Standard SMILES: C=C(c1ccccc1O)n1ccnc1
InChIKey: AHQLCEQBXIBHHO-UHFFFAOYSA-N
Molecular formula: C11H10N2O
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.07931294

Overview

2-[1-(1H-imidazol-1-yl)vinyl]phenol is a member of styrenes.

Names & identifiers

Preferred name: 2-[1-(1H-imidazol-1-yl)vinyl]phenol
IUPAC: 2-(1-imidazol-1-ylethenyl)phenol
English name: 1-(1-2-HYDROXYPHENYL)ETHENYL)-1H-IMIDAZOLE
Molecular formula: C11H10N2O
Molecular weight: 186.21

Names & synonyms

74204-47-02-[1-(1H-imidazol-1-yl)vinyl]phenol2-[1-(1H-imidazol-1-yl)ethenyl]phenol2-(1-(1H-Imidazol-1-yl)vinyl)phenol2-(1-imidazol-1-ylethenyl)phenol2-[1-(1-imidazolyl)ethenyl]phenolPhenol,2-[1-(1H-imidazol-1-yl)ethenyl]-Maybridge3_001121MLS001181621orb3169974SCHEMBL9664276CHEMBL1447036

Show more names

Compound Fr12551o-[1-(1H-Imidazol-1-yl)vinyl]phenolphenol, 2-[1-(1H-imidazol-1-yl)ethenyl]-1-[1-(2-Hydroxyphenyl)ethyl]-1H-imidazole1-(1-2-HYDROXYPHENYL)ETHENYL)-1H-IMIDAZOLE

2-(1-imidazol-1-ylvinyl)phenolDTXSID60384459AHQLCEQBXIBHHO-UHFFFAOYSA-NCHEBI:194839HMS1434C21HMS2861C11Fr12551ZCA20447

Database identifiers

CAS: 74204-47-0
PubChem CID: 2805536
DTXSID: DTXSID60384459
ChEMBL: CHEMBL1447036
ChEBI: CHEBI:194839
Nikkaji: J133.159K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Experimental & physicochemical properties

Solubility>27.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 152.5 · 152.5-154 °C(Solv: isopropanol (67-63-0))
Boiling point: 397.8 · 397.8±44.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
pka: 9.68 · 9.68±0.35(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501