2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol

C21H18N2O — CID 155543992

IUPAC2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol
SMILESOC(Cc1ccccc1)c1cc(-c2ccccc2)cc2[nH]ncc12
InChIInChI=1S/C21H18N2O/c24-21(11-15-7-3-1-4-8-15)18-12-17(16-9-5-2-6-10-16)13-20-19(18)14-22-23-20/h1-10,12-14,21,24H,11H2,(H,22,23)
InChIKeyXIXOVOQWDOBWEX-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.51
Rot. Bonds4

About 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol

2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol (PubChem CID 155543992) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol.

Molecular Properties

Compound Name2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol
PubChem CID155543992
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol
SMILESOC(Cc1ccccc1)c1cc(-c2ccccc2)cc2[nH]ncc12
InChIInChI=1S/C21H18N2O/c24-21(11-15-7-3-1-4-8-15)18-12-17(16-9-5-2-6-10-16)13-20-19(18)14-22-23-20/h1-10,12-14,21,24H,11H2,(H,22,23)
InChIKeyXIXOVOQWDOBWEX-UHFFFAOYSA-N
XLogP4.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol?
The IUPAC name of 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol (CID 155543992) is 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol.
What is the SMILES notation for 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol?
The canonical SMILES for 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol is OC(Cc1ccccc1)c1cc(-c2ccccc2)cc2[nH]ncc12.
What is the InChIKey of 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol?
The InChIKey is XIXOVOQWDOBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(11-15-7-3-1-4-8-15)18-12-17(16-9-5-2-6-10-16)13-20-19(18)14-22-23-20/h1-10,12-14,21,24H,11H2,(H,22,23).
What are the key properties of 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol?
2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol has a molecular weight of 314.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(6-phenyl-1H-indazol-4-yl)ethanol is sourced from PubChem (CID 155543992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).