2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol

C23H19F3N2O2 — CID 15980729

IUPAC2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc(C)cc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H19F3N2O2/c1-15-8-11-21(30-2)19(12-15)22(29,23(24,25)26)17-9-10-20-16(13-17)14-27-28(20)18-6-4-3-5-7-18/h3-14,29H,1-2H3
InChIKeyVVXUQBVGUGSJLQ-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.14
Rot. Bonds4

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

2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980729) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980729
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc(C)cc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H19F3N2O2/c1-15-8-11-21(30-2)19(12-15)22(29,23(24,25)26)17-9-10-20-16(13-17)14-27-28(20)18-6-4-3-5-7-18/h3-14,29H,1-2H3
InChIKeyVVXUQBVGUGSJLQ-UHFFFAOYSA-N
XLogP5.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.14
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-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980729) is 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol is COc1ccc(C)cc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is VVXUQBVGUGSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-15-8-11-21(30-2)19(12-15)22(29,23(24,25)26)17-9-10-20-16(13-17)14-27-28(20)18-6-4-3-5-7-18/h3-14,29H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(2-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 412.41 g/mol, XLogP of 5.14, 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-methoxy-5-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).