1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol

C23H19F3N2O — CID 15979035

IUPAC1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1cccc(C)c1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H19F3N2O/c1-15-7-6-8-16(2)21(15)22(29,23(24,25)26)18-11-12-20-17(13-18)14-27-28(20)19-9-4-3-5-10-19/h3-14,29H,1-2H3
InChIKeyYWZOWFDHMMNZTB-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.44
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol

1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979035) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979035
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1cccc(C)c1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H19F3N2O/c1-15-7-6-8-16(2)21(15)22(29,23(24,25)26)18-11-12-20-17(13-18)14-27-28(20)19-9-4-3-5-10-19/h3-14,29H,1-2H3
InChIKeyYWZOWFDHMMNZTB-UHFFFAOYSA-N
XLogP5.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol (CID 15979035) is 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol is Cc1cccc(C)c1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is YWZOWFDHMMNZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-15-7-6-8-16(2)21(15)22(29,23(24,25)26)18-11-12-20-17(13-18)14-27-28(20)19-9-4-3-5-10-19/h3-14,29H,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 396.41 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).