2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol

C22H17F3N2O2 — CID 15980493

IUPAC2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O2/c1-29-19-10-7-16(8-11-19)21(28,22(23,24)25)17-9-12-20-15(13-17)14-26-27(20)18-5-3-2-4-6-18/h2-14,28H,1H3
InChIKeyOIGRUCYFLUQWDI-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.83
Rot. Bonds4

About 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980493) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980493
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O2/c1-29-19-10-7-16(8-11-19)21(28,22(23,24)25)17-9-12-20-15(13-17)14-26-27(20)18-5-3-2-4-6-18/h2-14,28H,1H3
InChIKeyOIGRUCYFLUQWDI-UHFFFAOYSA-N
XLogP4.83
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980497
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980495
1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
CID 151959863
2,2,2-trifluoro-1-[4-(methylamino)naphthalen-1-yl]-1-(1-phenylindazol-5-yl)ethanol
CID 15979157
3-methoxy-4-[3,3,3-trifluoro-2-hydroxy-2-(1-phenylindazol-5-yl)propoxy]benzoic acid
CID 141157756
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
ethyl 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxylate
CID 15980812
(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
CID 2438814
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 141157758
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980493) is 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is COc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is OIGRUCYFLUQWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-29-19-10-7-16(8-11-19)21(28,22(23,24)25)17-9-12-20-15(13-17)14-26-27(20)18-5-3-2-4-6-18/h2-14,28H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 398.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).