Dazoxiben

C₁₂H₁₂N₂O₃CAS 78218-09-4232.24 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₂N₂O₃
Molar mass: 232.24 g/mol
Exact mass: 232.0848 Da
logP: 1.66Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78218-09-4

SMILES

O=C(O)c1ccc(OCCn2ccnc2)cc1

InChIKey

XQGZSYKGWHUSDH-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 4-[2-(1H-imidazol-1-yl)ethoxy]-
4-[2-(1H-Imidazol-1-yl)ethoxy]benzoic acid

Work with Dazoxiben

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-Propoxybenzoic acid5438-19-753 % similar 4-Ethoxybenzoic acid619-86-352 % similar 4-(1-Imidazolyl)benzoic Acid17616-04-552 % similar 4-Butoxybenzoic acid1498-96-051 % similar 4-(Pentyloxy)benzoic acid15872-41-050 % similar 4-(Hexyloxy)benzoic acid1142-39-849 % similar 4-(Heptyloxy)benzoic acid15872-42-149 % similar 4-(Nonyloxy)benzoic acid15872-43-249 % similar

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

Same formula

N-(Hydroxymethylidene)tryptophan16108-03-5 Nalidixic acid389-08-2 Phenobarbital50-06-6 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid5162-90-3 1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione7391-66-4 1-Phenyl-3-carbethoxy-5-pyrazolone89-33-8

Elsewhere

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