2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole

C20H16FN3O — CID 957465

IUPAC2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole
SMILESCc1ccc(OCc2ccc(F)cc2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H16FN3O/c1-14-6-11-20(25-13-15-7-9-16(21)10-8-15)19(12-14)24-22-17-4-2-3-5-18(17)23-24/h2-12H,13H2,1H3
InChIKeyJGSLDQCOLQZPJB-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.45
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole

2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole (PubChem CID 957465) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole
PubChem CID957465
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole
SMILESCc1ccc(OCc2ccc(F)cc2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H16FN3O/c1-14-6-11-20(25-13-15-7-9-16(21)10-8-15)19(12-14)24-22-17-4-2-3-5-18(17)23-24/h2-12H,13H2,1H3
InChIKeyJGSLDQCOLQZPJB-UHFFFAOYSA-N
XLogP4.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole?
The IUPAC name of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole (CID 957465) is 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole is Cc1ccc(OCc2ccc(F)cc2)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole?
The InChIKey is JGSLDQCOLQZPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-14-6-11-20(25-13-15-7-9-16(21)10-8-15)19(12-14)24-22-17-4-2-3-5-18(17)23-24/h2-12H,13H2,1H3.
What are the key properties of 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole?
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole has a molecular weight of 333.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]benzotriazole is sourced from PubChem (CID 957465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).