[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol

C16H14FN3O2 — CID 82197074

IUPAC[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1COc1ccccc1
InChIInChI=1S/C16H14FN3O2/c17-12-5-4-6-13(9-12)20-16(15(10-21)18-19-20)11-22-14-7-2-1-3-8-14/h1-9,21H,10-11H2
InChIKeyRBOFIGBJNLTGDK-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.48
Rot. Bonds5

About [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol

[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol (PubChem CID 82197074) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
PubChem CID82197074
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1COc1ccccc1
InChIInChI=1S/C16H14FN3O2/c17-12-5-4-6-13(9-12)20-16(15(10-21)18-19-20)11-22-14-7-2-1-3-8-14/h1-9,21H,10-11H2
InChIKeyRBOFIGBJNLTGDK-UHFFFAOYSA-N
XLogP2.48
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 56686728
[1-(3,4-dimethylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94936961
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
1-(3-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazole-4-carbonitrile
CID 82197088
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole
CID 56769520
[5-(methoxymethyl)-1-(3-nitrophenyl)triazol-4-yl]methanol
CID 82200083
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol (CID 82197074) is [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol is OCc1nnn(-c2cccc(F)c2)c1COc1ccccc1.
What is the InChIKey of [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The InChIKey is RBOFIGBJNLTGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-5-4-6-13(9-12)20-16(15(10-21)18-19-20)11-22-14-7-2-1-3-8-14/h1-9,21H,10-11H2.
What are the key properties of [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol has a molecular weight of 299.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82197074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).