[1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol

C15H12FN3O — CID 56686736

IUPAC[1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C15H12FN3O/c16-12-6-8-13(9-7-12)19-15(14(10-20)17-18-19)11-4-2-1-3-5-11/h1-9,20H,10H2
InChIKeyVMUMSIKAVGOINZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.57
Rot. Bonds3

About [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol

[1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol (PubChem CID 56686736) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol
PubChem CID56686736
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name[1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C15H12FN3O/c16-12-6-8-13(9-7-12)19-15(14(10-20)17-18-19)11-4-2-1-3-5-11/h1-9,20H,10H2
InChIKeyVMUMSIKAVGOINZ-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol (CID 56686736) is [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol is OCc1nnn(-c2ccc(F)cc2)c1-c1ccccc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol?
The InChIKey is VMUMSIKAVGOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-6-8-13(9-7-12)19-15(14(10-20)17-18-19)11-4-2-1-3-5-11/h1-9,20H,10H2.
What are the key properties of [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol?
[1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol has a molecular weight of 269.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 56686736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).