[2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol

C13H11N3OS — CID 175169521

IUPAC[2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol
SMILESOCc1ccccc1-n1cc(-c2cccs2)nn1
InChIInChI=1S/C13H11N3OS/c17-9-10-4-1-2-5-12(10)16-8-11(14-15-16)13-6-3-7-18-13/h1-8,17H,9H2
InChIKeyYHDOUDWSDSZCKN-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.49
Rot. Bonds3

About [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol

[2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol (PubChem CID 175169521) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol
PubChem CID175169521
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name[2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol
SMILESOCc1ccccc1-n1cc(-c2cccs2)nn1
InChIInChI=1S/C13H11N3OS/c17-9-10-4-1-2-5-12(10)16-8-11(14-15-16)13-6-3-7-18-13/h1-8,17H,9H2
InChIKeyYHDOUDWSDSZCKN-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol (CID 175169521) is [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol is OCc1ccccc1-n1cc(-c2cccs2)nn1.
What is the InChIKey of [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol?
The InChIKey is YHDOUDWSDSZCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-9-10-4-1-2-5-12(10)16-8-11(14-15-16)13-6-3-7-18-13/h1-8,17H,9H2.
What are the key properties of [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol?
[2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol has a molecular weight of 257.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-thiophen-2-yltriazol-1-yl)phenyl]methanol is sourced from PubChem (CID 175169521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).