ZTQ

(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid

Created:2023-07-05
Last modified:  2023-07-26

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count1
Bond Count33
Aromatic Bond Count12
2D diagram of ZTQ

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Chemical Component Summary

Name(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-(4-phenylphenoxy)propanoic acid
FormulaC15 H14 O3
Molecular Weight242.27
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(Oc1ccc(cc1)c1ccccc1)C(=O)O
SMILESCACTVS3.385C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C(=O)O)Oc1ccc(cc1)c2ccccc2
Canonical SMILESCACTVS3.385 C[C@H](Oc1ccc(cc1)c2ccccc2)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](C(=O)O)Oc1ccc(cc1)c2ccccc2
InChIInChI1.06 InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyInChI1.06 FUPGQEMJIGUBGO-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 6542724