1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol

C13H17N3O2 — CID 114685504

IUPAC1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
SMILESCCOCC(C)(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-3-18-10-13(2,17)12-9-14-15-16(12)11-7-5-4-6-8-11/h4-9,17H,3,10H2,1-2H3
InChIKeyJQMPMPHHWOJOGC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.51
Rot. Bonds5

About 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol

1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol (PubChem CID 114685504) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
PubChem CID114685504
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
SMILESCCOCC(C)(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-3-18-10-13(2,17)12-9-14-15-16(12)11-7-5-4-6-8-11/h4-9,17H,3,10H2,1-2H3
InChIKeyJQMPMPHHWOJOGC-UHFFFAOYSA-N
XLogP1.51
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol (CID 114685504) is 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol is CCOCC(C)(O)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol?
The InChIKey is JQMPMPHHWOJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-18-10-13(2,17)12-9-14-15-16(12)11-7-5-4-6-8-11/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol?
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 114685504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).