3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole

C20H23FN2O — CID 162015544

IUPAC3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole
SMILESCCCCCCOc1ccc(-c2n[nH]c3cc(C)ccc23)c(F)c1
InChIInChI=1S/C20H23FN2O/c1-3-4-5-6-11-24-15-8-10-16(18(21)13-15)20-17-9-7-14(2)12-19(17)22-23-20/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,23)
InChIKeyALONGDRFPMYVBN-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.64
Rot. Bonds7

About 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole

3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole (PubChem CID 162015544) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole.

Molecular Properties

Compound Name3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole
PubChem CID162015544
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole
SMILESCCCCCCOc1ccc(-c2n[nH]c3cc(C)ccc23)c(F)c1
InChIInChI=1S/C20H23FN2O/c1-3-4-5-6-11-24-15-8-10-16(18(21)13-15)20-17-9-7-14(2)12-19(17)22-23-20/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,23)
InChIKeyALONGDRFPMYVBN-UHFFFAOYSA-N
XLogP5.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138734236
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
2-[2-fluoro-4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 177420166
3-[2-[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenoxy]ethoxy]propyl N-methylcarbamate
CID 138734257
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
7-methyl-2-octoxy-[1]benzothiolo[3,2-b][1]benzothiole
CID 118333899

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole?
The IUPAC name of 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole (CID 162015544) is 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole.
What is the SMILES notation for 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole?
The canonical SMILES for 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole is CCCCCCOc1ccc(-c2n[nH]c3cc(C)ccc23)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole?
The InChIKey is ALONGDRFPMYVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-3-4-5-6-11-24-15-8-10-16(18(21)13-15)20-17-9-7-14(2)12-19(17)22-23-20/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole?
3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole has a molecular weight of 326.42 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole is sourced from PubChem (CID 162015544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).