(3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol

C16H14FN3O — CID 68948892

IUPAC(3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cnnn1Cc1ccccc1
InChIInChI=1S/C16H14FN3O/c17-14-8-6-13(7-9-14)16(21)15-10-18-19-20(15)11-12-4-2-1-3-5-12/h1-10,16,21H,11H2
InChIKeyNUSMWLRFWXSWQT-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.55
Rot. Bonds4

About (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol

(3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol (PubChem CID 68948892) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol
PubChem CID68948892
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cnnn1Cc1ccccc1
InChIInChI=1S/C16H14FN3O/c17-14-8-6-13(7-9-14)16(21)15-10-18-19-20(15)11-12-4-2-1-3-5-12/h1-10,16,21H,11H2
InChIKeyNUSMWLRFWXSWQT-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol (CID 68948892) is (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1cnnn1Cc1ccccc1.
What is the InChIKey of (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol?
The InChIKey is NUSMWLRFWXSWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-8-6-13(7-9-14)16(21)15-10-18-19-20(15)11-12-4-2-1-3-5-12/h1-10,16,21H,11H2.
What are the key properties of (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol?
(3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol has a molecular weight of 283.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyltriazol-4-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 68948892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).