O0L

(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol

Created:2022-04-14
Last modified:  2023-03-08

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count17
2D diagram of O0L

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Chemical Component Summary

Name(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol
Systematic Name (OpenEye OEToolkits)3-[4-(hydroxymethyl)phenyl]-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenol
FormulaC14 H12 N4 O2
Molecular Weight268.271
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1
SMILESCACTVS3.385OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO
Canonical SMILESCACTVS3.385 OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO
InChIInChI1.03 InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)
InChIKeyInChI1.03 MHFBCDLPGNNTMV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166638111