6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole

C20H15FN2O — CID 11174579

IUPAC6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole
SMILESCc1cccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c1
InChIInChI=1S/C20H15FN2O/c1-13-5-4-6-14(11-13)20-16-10-9-15(12-18(16)22-23-20)24-19-8-3-2-7-17(19)21/h2-12H,1H3,(H,22,23)
InChIKeyLTCDBLUMFXLYSN-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.47
Rot. Bonds3

About 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole

6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole (PubChem CID 11174579) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole
PubChem CID11174579
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole
SMILESCc1cccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c1
InChIInChI=1S/C20H15FN2O/c1-13-5-4-6-14(11-13)20-16-10-9-15(12-18(16)22-23-20)24-19-8-3-2-7-17(19)21/h2-12H,1H3,(H,22,23)
InChIKeyLTCDBLUMFXLYSN-UHFFFAOYSA-N
XLogP5.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole?
The IUPAC name of 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole (CID 11174579) is 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole.
What is the SMILES notation for 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole?
The canonical SMILES for 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole is Cc1cccc(-c2n[nH]c3cc(Oc4ccccc4F)ccc23)c1.
What is the InChIKey of 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole?
The InChIKey is LTCDBLUMFXLYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O/c1-13-5-4-6-14(11-13)20-16-10-9-15(12-18(16)22-23-20)24-19-8-3-2-7-17(19)21/h2-12H,1H3,(H,22,23).
What are the key properties of 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole?
6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole has a molecular weight of 318.35 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-3-(3-methylphenyl)-1H-indazole is sourced from PubChem (CID 11174579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).