1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol

C21H17FN2O — CID 22479933

IUPAC1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H17FN2O/c22-17-9-6-15(7-10-17)21-18-13-16(8-11-19(18)23-24-21)20(25)12-14-4-2-1-3-5-14/h1-11,13,20,25H,12H2,(H,23,24)
InChIKeyUGYYBGRNRIJRMV-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.65
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol

1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol (PubChem CID 22479933) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol
PubChem CID22479933
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H17FN2O/c22-17-9-6-15(7-10-17)21-18-13-16(8-11-19(18)23-24-21)20(25)12-14-4-2-1-3-5-14/h1-11,13,20,25H,12H2,(H,23,24)
InChIKeyUGYYBGRNRIJRMV-UHFFFAOYSA-N
XLogP4.65
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol?
The IUPAC name of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol (CID 22479933) is 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol is OC(Cc1ccccc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol?
The InChIKey is UGYYBGRNRIJRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-17-9-6-15(7-10-17)21-18-13-16(8-11-19(18)23-24-21)20(25)12-14-4-2-1-3-5-14/h1-11,13,20,25H,12H2,(H,23,24).
What are the key properties of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol?
1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol has a molecular weight of 332.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-phenylethanol is sourced from PubChem (CID 22479933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).