2-(2-prop-2-enylindazol-3-yl)oxyethanol

C12H14N2O2 — CID 24980445

IUPAC2-(2-prop-2-enylindazol-3-yl)oxyethanol
SMILESC=CCn1nc2ccccc2c1OCCO
InChIInChI=1S/C12H14N2O2/c1-2-7-14-12(16-9-8-15)10-5-3-4-6-11(10)13-14/h2-6,15H,1,7-9H2
InChIKeyFIKBURDROOCNQI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-prop-2-enylindazol-3-yl)oxyethanol

2-(2-prop-2-enylindazol-3-yl)oxyethanol (PubChem CID 24980445) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-prop-2-enylindazol-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(2-prop-2-enylindazol-3-yl)oxyethanol
PubChem CID24980445
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-prop-2-enylindazol-3-yl)oxyethanol
SMILESC=CCn1nc2ccccc2c1OCCO
InChIInChI=1S/C12H14N2O2/c1-2-7-14-12(16-9-8-15)10-5-3-4-6-11(10)13-14/h2-6,15H,1,7-9H2
InChIKeyFIKBURDROOCNQI-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylindazol-3-yl)oxyethanol?
The IUPAC name of 2-(2-prop-2-enylindazol-3-yl)oxyethanol (CID 24980445) is 2-(2-prop-2-enylindazol-3-yl)oxyethanol.
What is the SMILES notation for 2-(2-prop-2-enylindazol-3-yl)oxyethanol?
The canonical SMILES for 2-(2-prop-2-enylindazol-3-yl)oxyethanol is C=CCn1nc2ccccc2c1OCCO.
What is the InChIKey of 2-(2-prop-2-enylindazol-3-yl)oxyethanol?
The InChIKey is FIKBURDROOCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-7-14-12(16-9-8-15)10-5-3-4-6-11(10)13-14/h2-6,15H,1,7-9H2.
What are the key properties of 2-(2-prop-2-enylindazol-3-yl)oxyethanol?
2-(2-prop-2-enylindazol-3-yl)oxyethanol has a molecular weight of 218.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylindazol-3-yl)oxyethanol is sourced from PubChem (CID 24980445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).