3-[3-(triazol-1-yl)phenoxy]propanoic acid

C11H11N3O3 — CID 82513165

IUPAC3-[3-(triazol-1-yl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1cccc(-n2ccnn2)c1
InChIInChI=1S/C11H11N3O3/c15-11(16)4-7-17-10-3-1-2-9(8-10)14-6-5-12-13-14/h1-3,5-6,8H,4,7H2,(H,15,16)
InChIKeyVHLILGASALVWBL-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.12
Rot. Bonds5

About 3-[3-(triazol-1-yl)phenoxy]propanoic acid

3-[3-(triazol-1-yl)phenoxy]propanoic acid (PubChem CID 82513165) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[3-(triazol-1-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[3-(triazol-1-yl)phenoxy]propanoic acid
PubChem CID82513165
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-[3-(triazol-1-yl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1cccc(-n2ccnn2)c1
InChIInChI=1S/C11H11N3O3/c15-11(16)4-7-17-10-3-1-2-9(8-10)14-6-5-12-13-14/h1-3,5-6,8H,4,7H2,(H,15,16)
InChIKeyVHLILGASALVWBL-UHFFFAOYSA-N
XLogP1.12
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
3-[3-(1,2,4-triazol-4-yl)phenoxy]propanoic acid
CID 82513156
CID 131885829
CID 131885829
[3-(triazol-1-yl)phenyl] 2-methylpyrazole-3-carboxylate
CID 75484930
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
3-[3-(chloromethyl)phenoxy]propanoic acid
CID 54044579
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
3-[3-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399263
N-phenyl-6-[3-(triazol-1-yl)phenoxy]pyridazine-3-carboxamide
CID 133459492
3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
CID 39103106
1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one
CID 133459466
2,2-dimethyl-4-oxo-4-[3-(triazol-1-yl)anilino]butanoic acid
CID 119259712

Frequently Asked Questions

What is the IUPAC name of 3-[3-(triazol-1-yl)phenoxy]propanoic acid?
The IUPAC name of 3-[3-(triazol-1-yl)phenoxy]propanoic acid (CID 82513165) is 3-[3-(triazol-1-yl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[3-(triazol-1-yl)phenoxy]propanoic acid?
The canonical SMILES for 3-[3-(triazol-1-yl)phenoxy]propanoic acid is O=C(O)CCOc1cccc(-n2ccnn2)c1.
What is the InChIKey of 3-[3-(triazol-1-yl)phenoxy]propanoic acid?
The InChIKey is VHLILGASALVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(16)4-7-17-10-3-1-2-9(8-10)14-6-5-12-13-14/h1-3,5-6,8H,4,7H2,(H,15,16).
What are the key properties of 3-[3-(triazol-1-yl)phenoxy]propanoic acid?
3-[3-(triazol-1-yl)phenoxy]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(triazol-1-yl)phenoxy]propanoic acid is sourced from PubChem (CID 82513165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).