2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol

C12H14FN3O2 — CID 82209999

IUPAC2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol
SMILESOCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2/c13-10-3-1-9(2-4-10)7-12-11(8-18)14-15-16(12)5-6-17/h1-4,17-18H,5-8H2
InChIKeyWJBWBPSEFDHRHM-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.49
Rot. Bonds5

About 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol

2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol (PubChem CID 82209999) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol
PubChem CID82209999
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol
SMILESOCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2/c13-10-3-1-9(2-4-10)7-12-11(8-18)14-15-16(12)5-6-17/h1-4,17-18H,5-8H2
InChIKeyWJBWBPSEFDHRHM-UHFFFAOYSA-N
XLogP0.49
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-Hydroxy-isopropyl)-1-benzyl-1,2,3-triazol-5-yl]propan-2-ol
CID 715187
[3-Benzyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 138980862
[5-(4-Fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
CID 19914682
[5-(4-Fluoro-phenyl)-3-trimethylsilanylmethyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67496703
(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408
[1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-methanol
CID 86601208
[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444
(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140
[3-(1-Cyclohexylpyrrolidin-3-yl)-5-(4-fluorophenyl)triazol-4-yl]methanol
CID 126732906
[5-(2-Fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol
CID 126733331
[5-(2-Fluorophenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]triazol-4-yl]methanol
CID 126733436

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol (CID 82209999) is 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol is OCCn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol?
The InChIKey is WJBWBPSEFDHRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-10-3-1-9(2-4-10)7-12-11(8-18)14-15-16(12)5-6-17/h1-4,17-18H,5-8H2.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol?
2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol has a molecular weight of 251.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol is sourced from PubChem (CID 82209999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).