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

C22H17F3N2O2 — CID 15980731

IUPAC2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H17F3N2O2/c1-29-20-10-6-5-9-18(20)21(28,22(23,24)25)16-11-12-19-15(13-16)14-26-27(19)17-7-3-2-4-8-17/h2-14,28H,1H3
InChIKeyHRXILBHBZSWZRY-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.83
Rot. Bonds4

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

2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980731) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980731
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H17F3N2O2/c1-29-20-10-6-5-9-18(20)21(28,22(23,24)25)16-11-12-19-15(13-16)14-26-27(19)17-7-3-2-4-8-17/h2-14,28H,1H3
InChIKeyHRXILBHBZSWZRY-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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980731) is 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is COc1ccccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is HRXILBHBZSWZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-29-20-10-6-5-9-18(20)21(28,22(23,24)25)16-11-12-19-15(13-16)14-26-27(19)17-7-3-2-4-8-17/h2-14,28H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(2-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-(2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).