3-[2-(2H-triazol-4-yl)ethyl]phenol

C10H11N3O — CID 112718347

IUPAC3-[2-(2H-triazol-4-yl)ethyl]phenol
SMILESOc1cccc(CCc2cn[nH]n2)c1
InChIInChI=1S/C10H11N3O/c14-10-3-1-2-8(6-10)4-5-9-7-11-13-12-9/h1-3,6-7,14H,4-5H2,(H,11,12,13)
InChIKeyCOIKDRRXRUNAFV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.30
Rot. Bonds3

About 3-[2-(2H-triazol-4-yl)ethyl]phenol

3-[2-(2H-triazol-4-yl)ethyl]phenol (PubChem CID 112718347) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-[2-(2H-triazol-4-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(2H-triazol-4-yl)ethyl]phenol
PubChem CID112718347
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-[2-(2H-triazol-4-yl)ethyl]phenol
SMILESOc1cccc(CCc2cn[nH]n2)c1
InChIInChI=1S/C10H11N3O/c14-10-3-1-2-8(6-10)4-5-9-7-11-13-12-9/h1-3,6-7,14H,4-5H2,(H,11,12,13)
InChIKeyCOIKDRRXRUNAFV-UHFFFAOYSA-N
XLogP1.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-bromophenyl)ethyl]-2H-triazole
CID 112717442
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
2-(3-hydroxyphenyl)ethylboronic acid
CID 55255673
3-(4-hydroxybutyl)phenol
CID 19991537
3-(3-sulfanylpropyl)phenol
CID 57206434
4-(phenylmethoxymethyl)-2H-triazole
CID 12990357
3-(1H-pyrazol-4-yloxymethyl)phenol
CID 117233494
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
phenol;3-propylphenol
CID 66960022

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2H-triazol-4-yl)ethyl]phenol?
The IUPAC name of 3-[2-(2H-triazol-4-yl)ethyl]phenol (CID 112718347) is 3-[2-(2H-triazol-4-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-(2H-triazol-4-yl)ethyl]phenol?
The canonical SMILES for 3-[2-(2H-triazol-4-yl)ethyl]phenol is Oc1cccc(CCc2cn[nH]n2)c1.
What is the InChIKey of 3-[2-(2H-triazol-4-yl)ethyl]phenol?
The InChIKey is COIKDRRXRUNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-3-1-2-8(6-10)4-5-9-7-11-13-12-9/h1-3,6-7,14H,4-5H2,(H,11,12,13).
What are the key properties of 3-[2-(2H-triazol-4-yl)ethyl]phenol?
3-[2-(2H-triazol-4-yl)ethyl]phenol has a molecular weight of 189.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2H-triazol-4-yl)ethyl]phenol is sourced from PubChem (CID 112718347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).