2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol

C11H13N3O2 — CID 62400381

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol
SMILESOCc1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C11H13N3O2/c15-8-10-6-14(13-12-10)7-11(16)9-4-2-1-3-5-9/h1-6,11,15-16H,7-8H2
InChIKeyUDKDTUWZUXENOZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.50
Rot. Bonds4

About 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol

2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol (PubChem CID 62400381) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol
PubChem CID62400381
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol
SMILESOCc1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C11H13N3O2/c15-8-10-6-14(13-12-10)7-11(16)9-4-2-1-3-5-9/h1-6,11,15-16H,7-8H2
InChIKeyUDKDTUWZUXENOZ-UHFFFAOYSA-N
XLogP0.50
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol (CID 62400381) is 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol is OCc1cn(CC(O)c2ccccc2)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol?
The InChIKey is UDKDTUWZUXENOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-8-10-6-14(13-12-10)7-11(16)9-4-2-1-3-5-9/h1-6,11,15-16H,7-8H2.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol?
2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol has a molecular weight of 219.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 62400381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).