6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole

C15H13FN2O — CID 42629173

IUPAC6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole
SMILESCc1cc(Oc2ccc3c(C)[nH]nc3c2)ccc1F
InChIInChI=1S/C15H13FN2O/c1-9-7-11(4-6-14(9)16)19-12-3-5-13-10(2)17-18-15(13)8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyGJFYZRGGDYEPOJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP4.11
Rot. Bonds2

About 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole

6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole (PubChem CID 42629173) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole
PubChem CID42629173
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole
SMILESCc1cc(Oc2ccc3c(C)[nH]nc3c2)ccc1F
InChIInChI=1S/C15H13FN2O/c1-9-7-11(4-6-14(9)16)19-12-3-5-13-10(2)17-18-15(13)8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyGJFYZRGGDYEPOJ-UHFFFAOYSA-N
XLogP4.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole?
The IUPAC name of 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole (CID 42629173) is 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole.
What is the SMILES notation for 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole?
The canonical SMILES for 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole is Cc1cc(Oc2ccc3c(C)[nH]nc3c2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole?
The InChIKey is GJFYZRGGDYEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-9-7-11(4-6-14(9)16)19-12-3-5-13-10(2)17-18-15(13)8-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole?
6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole has a molecular weight of 256.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenoxy)-3-methyl-2H-indazole is sourced from PubChem (CID 42629173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).