(4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol

C20H16FN3O — CID 166401731

IUPAC(4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
SMILESOC(c1ccc(F)cc1)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C20H16FN3O/c21-17-10-8-15(9-11-17)20(25)19-13-24(23-22-19)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13,20,25H,12H2
InChIKeyMTGVTCZQQDMNDT-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.70
Rot. Bonds4

About (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol

(4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol (PubChem CID 166401731) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
PubChem CID166401731
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name(4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
SMILESOC(c1ccc(F)cc1)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C20H16FN3O/c21-17-10-8-15(9-11-17)20(25)19-13-24(23-22-19)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13,20,25H,12H2
InChIKeyMTGVTCZQQDMNDT-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol (CID 166401731) is (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol is OC(c1ccc(F)cc1)c1cn(Cc2cccc3ccccc23)nn1.
What is the InChIKey of (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
The InChIKey is MTGVTCZQQDMNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-17-10-8-15(9-11-17)20(25)19-13-24(23-22-19)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13,20,25H,12H2.
What are the key properties of (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol?
(4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol has a molecular weight of 333.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 166401731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).