4-(2-[1,2,3]Triazol-1-yl-ethoxymethyl)-phenol

HCID 21075895

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccc(COCCn2ccnn2)cc1
InChIKey: VNONBKZQWXYHMQ-UHFFFAOYSA-N
Molecular formula: C11H13N3O2
Average molar mass: 219.24 g/mol

Names & identifiers

Preferred name: 4-(2-[1,2,3]Triazol-1-yl-ethoxymethyl)-phenol
IUPAC: 4-[2-(triazol-1-yl)ethoxymethyl]phenol

Names & synonyms

SCHEMBL4592205VNONBKZQWXYHMQ-UHFFFAOYSA-N4-(2-[1,2,3]Triazol-1-yl-ethoxymethyl)-phenol

Database identifiers

PubChem CID: 21075895

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 60.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 196

Related reactions

16 records

New reaction record

HRID 33489As productuspto-grants-2008_09

HRID 160784As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 750961As productuspto-grants-2008_07

HRID 750962As reactantuspto-grants-2008_07

HRID 807578As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 937774As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1373845As reactantuspto-grants-2007_01

HRID 1373846As reactantuspto-grants-2007_01

Compound notes

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