3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol

C15H13N3O2 — CID 57390248

IUPAC3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
SMILESOc1ccc(-c2cn(Cc3cccc(O)c3)nn2)cc1
InChIInChI=1S/C15H13N3O2/c19-13-6-4-12(5-7-13)15-10-18(17-16-15)9-11-2-1-3-14(20)8-11/h1-8,10,19-20H,9H2
InChIKeyNBKJALZVHXLLQQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds3

About 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol

3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol (PubChem CID 57390248) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
PubChem CID57390248
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
SMILESOc1ccc(-c2cn(Cc3cccc(O)c3)nn2)cc1
InChIInChI=1S/C15H13N3O2/c19-13-6-4-12(5-7-13)15-10-18(17-16-15)9-11-2-1-3-14(20)8-11/h1-8,10,19-20H,9H2
InChIKeyNBKJALZVHXLLQQ-UHFFFAOYSA-N
XLogP2.40
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol (CID 57390248) is 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol is Oc1ccc(-c2cn(Cc3cccc(O)c3)nn2)cc1.
What is the InChIKey of 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol?
The InChIKey is NBKJALZVHXLLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-13-6-4-12(5-7-13)15-10-18(17-16-15)9-11-2-1-3-14(20)8-11/h1-8,10,19-20H,9H2.
What are the key properties of 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol?
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol is sourced from PubChem (CID 57390248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).