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

C23H19F3N2O3 — CID 15980497

IUPAC1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc(OC)c(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-30-18-9-11-21(31-2)19(13-18)22(29,23(24,25)26)16-8-10-20-15(12-16)14-27-28(20)17-6-4-3-5-7-17/h3-14,29H,1-2H3
InChIKeyVSHLNXPDVNBDRH-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.84
Rot. Bonds5

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

1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980497) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980497
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc(OC)c(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-30-18-9-11-21(31-2)19(13-18)22(29,23(24,25)26)16-8-10-20-15(12-16)14-27-28(20)17-6-4-3-5-7-17/h3-14,29H,1-2H3
InChIKeyVSHLNXPDVNBDRH-UHFFFAOYSA-N
XLogP4.84
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol (CID 15980497) is 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol is COc1ccc(OC)c(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is VSHLNXPDVNBDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-30-18-9-11-21(31-2)19(13-18)22(29,23(24,25)26)16-8-10-20-15(12-16)14-27-28(20)17-6-4-3-5-7-17/h3-14,29H,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 428.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).