[2-(3-propyltriazol-4-yl)oxyphenyl]methanol

C12H15N3O2 — CID 114223084

IUPAC[2-(3-propyltriazol-4-yl)oxyphenyl]methanol
SMILESCCCn1nncc1Oc1ccccc1CO
InChIInChI=1S/C12H15N3O2/c1-2-7-15-12(8-13-14-15)17-11-6-4-3-5-10(11)9-16/h3-6,8,16H,2,7,9H2,1H3
InChIKeyIVHOAQVHEUDREN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.97
Rot. Bonds5

About [2-(3-propyltriazol-4-yl)oxyphenyl]methanol

[2-(3-propyltriazol-4-yl)oxyphenyl]methanol (PubChem CID 114223084) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [2-(3-propyltriazol-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(3-propyltriazol-4-yl)oxyphenyl]methanol
PubChem CID114223084
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[2-(3-propyltriazol-4-yl)oxyphenyl]methanol
SMILESCCCn1nncc1Oc1ccccc1CO
InChIInChI=1S/C12H15N3O2/c1-2-7-15-12(8-13-14-15)17-11-6-4-3-5-10(11)9-16/h3-6,8,16H,2,7,9H2,1H3
InChIKeyIVHOAQVHEUDREN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propyltriazol-4-yl)oxyphenyl]methanol?
The IUPAC name of [2-(3-propyltriazol-4-yl)oxyphenyl]methanol (CID 114223084) is [2-(3-propyltriazol-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(3-propyltriazol-4-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(3-propyltriazol-4-yl)oxyphenyl]methanol is CCCn1nncc1Oc1ccccc1CO.
What is the InChIKey of [2-(3-propyltriazol-4-yl)oxyphenyl]methanol?
The InChIKey is IVHOAQVHEUDREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-7-15-12(8-13-14-15)17-11-6-4-3-5-10(11)9-16/h3-6,8,16H,2,7,9H2,1H3.
What are the key properties of [2-(3-propyltriazol-4-yl)oxyphenyl]methanol?
[2-(3-propyltriazol-4-yl)oxyphenyl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propyltriazol-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 114223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).