4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol

C15H11F3N2O — CID 136617752

IUPAC4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol
SMILESOc1ccc(-c2ccc3cn[nH]c3c2)c(CC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)7-11-5-12(21)3-4-13(11)9-1-2-10-8-19-20-14(10)6-9/h1-6,8,21H,7H2,(H,19,20)
InChIKeyGHOXDJBNHJJYIH-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.04
Rot. Bonds2

About 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol

4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol (PubChem CID 136617752) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol
PubChem CID136617752
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol
SMILESOc1ccc(-c2ccc3cn[nH]c3c2)c(CC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)7-11-5-12(21)3-4-13(11)9-1-2-10-8-19-20-14(10)6-9/h1-6,8,21H,7H2,(H,19,20)
InChIKeyGHOXDJBNHJJYIH-UHFFFAOYSA-N
XLogP4.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroxybenzindazole
CID 97667
1H-Indazol-5-ol
CID 101438
2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
4-(3-Amino-1H-indazol-6-yl)phenol
CID 135466441
6-methoxy-4-phenyl-1H-indazole
CID 127046307
4-phenyl-6-(trifluoromethoxy)-1H-indazole
CID 127046309
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
6-(3-ethoxyphenyl)-1H-indazole
CID 145952450
N-[6-(3-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540191
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540484
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]propane-2-sulfonamide
CID 155541077

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol (CID 136617752) is 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol is Oc1ccc(-c2ccc3cn[nH]c3c2)c(CC(F)(F)F)c1.
What is the InChIKey of 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol?
The InChIKey is GHOXDJBNHJJYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)7-11-5-12(21)3-4-13(11)9-1-2-10-8-19-20-14(10)6-9/h1-6,8,21H,7H2,(H,19,20).
What are the key properties of 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol?
4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol has a molecular weight of 292.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-6-yl)-3-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 136617752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).