(4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol

C20H14F2N2O — CID 46888392

IUPAC(4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H14F2N2O/c21-16-4-1-13(2-5-16)20(25)14-3-10-19-15(11-14)12-23-24(19)18-8-6-17(22)7-9-18/h1-12,20,25H
InChIKeyUTBOGJNBLDGVIZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.39
Rot. Bonds3

About (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol

(4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol (PubChem CID 46888392) has the molecular formula C20H14F2N2O and a molecular weight of 336.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol
PubChem CID46888392
Molecular FormulaC20H14F2N2O
Molecular Weight336.34 g/mol
Exact Mass336.11
IUPAC Name(4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H14F2N2O/c21-16-4-1-13(2-5-16)20(25)14-3-10-19-15(11-14)12-23-24(19)18-8-6-17(22)7-9-18/h1-12,20,25H
InChIKeyUTBOGJNBLDGVIZ-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol (CID 46888392) is (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol is OC(c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol?
The InChIKey is UTBOGJNBLDGVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O/c21-16-4-1-13(2-5-16)20(25)14-3-10-19-15(11-14)12-23-24(19)18-8-6-17(22)7-9-18/h1-12,20,25H.
What are the key properties of (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol?
(4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol has a molecular weight of 336.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-fluorophenyl)indazol-5-yl]methanol is sourced from PubChem (CID 46888392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).