1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol

C12H15N3O2 — CID 81444678

IUPAC1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCOc2ccccc2)nn1
InChIInChI=1S/C12H15N3O2/c1-10(16)12-9-15(14-13-12)7-8-17-11-5-3-2-4-6-11/h2-6,9-10,16H,7-8H2,1H3
InChIKeyRYFBQQLMLMDDMN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.41
Rot. Bonds5

About 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol

1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol (PubChem CID 81444678) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
PubChem CID81444678
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCOc2ccccc2)nn1
InChIInChI=1S/C12H15N3O2/c1-10(16)12-9-15(14-13-12)7-8-17-11-5-3-2-4-6-11/h2-6,9-10,16H,7-8H2,1H3
InChIKeyRYFBQQLMLMDDMN-UHFFFAOYSA-N
XLogP1.41
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol (CID 81444678) is 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol is CC(O)c1cn(CCOc2ccccc2)nn1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol?
The InChIKey is RYFBQQLMLMDDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10(16)12-9-15(14-13-12)7-8-17-11-5-3-2-4-6-11/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol?
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).