2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol

C12H15ClN2O — CID 175518808

IUPAC2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol
SMILESCC(C)n1nc(Cl)c2cc(CCO)ccc21
InChIInChI=1S/C12H15ClN2O/c1-8(2)15-11-4-3-9(5-6-16)7-10(11)12(13)14-15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyGLOJBBHNBHLHCA-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.81
Rot. Bonds3

About 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol

2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol (PubChem CID 175518808) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol
PubChem CID175518808
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol
SMILESCC(C)n1nc(Cl)c2cc(CCO)ccc21
InChIInChI=1S/C12H15ClN2O/c1-8(2)15-11-4-3-9(5-6-16)7-10(11)12(13)14-15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyGLOJBBHNBHLHCA-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol?
The IUPAC name of 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol (CID 175518808) is 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol?
The canonical SMILES for 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol is CC(C)n1nc(Cl)c2cc(CCO)ccc21.
What is the InChIKey of 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol?
The InChIKey is GLOJBBHNBHLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(2)15-11-4-3-9(5-6-16)7-10(11)12(13)14-15/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol?
2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol has a molecular weight of 238.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol is sourced from PubChem (CID 175518808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).