2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol

C16H14FN3O — CID 114686314

IUPAC2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)10-16(21)15-11-18-19-20(15)14-4-2-1-3-5-14/h1-9,11,16,21H,10H2
InChIKeyJFKPEXJGRKTSDW-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol

2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol (PubChem CID 114686314) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
PubChem CID114686314
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)10-16(21)15-11-18-19-20(15)14-4-2-1-3-5-14/h1-9,11,16,21H,10H2
InChIKeyJFKPEXJGRKTSDW-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol (CID 114686314) is 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol is OC(Cc1ccc(F)cc1)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The InChIKey is JFKPEXJGRKTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)10-16(21)15-11-18-19-20(15)14-4-2-1-3-5-14/h1-9,11,16,21H,10H2.
What are the key properties of 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol?
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol has a molecular weight of 283.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).