(4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol

C15H12FN3O — CID 105077288

IUPAC(4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1ccc(F)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15(20)14-10-17-19(18-14)13-4-2-1-3-5-13/h1-10,15,20H
InChIKeyUXJJXEPJIZGEDH-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.49
Rot. Bonds3

About (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol

(4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105077288) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105077288
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1ccc(F)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15(20)14-10-17-19(18-14)13-4-2-1-3-5-13/h1-10,15,20H
InChIKeyUXJJXEPJIZGEDH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol (CID 105077288) is (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol is OC(c1ccc(F)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is UXJJXEPJIZGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15(20)14-10-17-19(18-14)13-4-2-1-3-5-13/h1-10,15,20H.
What are the key properties of (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol?
(4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol has a molecular weight of 269.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105077288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).