2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol

C17H16N2O2 — CID 69004426

IUPAC2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol
SMILESOCCOc1ccccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-11-12-21-17-8-4-1-5-13(17)9-10-16-14-6-2-3-7-15(14)18-19-16/h1-10,20H,11-12H2,(H,18,19)/b10-9+
InChIKeyGYKJUKDXPXFZBQ-MDZDMXLPSA-N
MW280.33 g/mol
LogP3.10
Rot. Bonds5

About 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol

2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol (PubChem CID 69004426) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol
PubChem CID69004426
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol
SMILESOCCOc1ccccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-11-12-21-17-8-4-1-5-13(17)9-10-16-14-6-2-3-7-15(14)18-19-16/h1-10,20H,11-12H2,(H,18,19)/b10-9+
InChIKeyGYKJUKDXPXFZBQ-MDZDMXLPSA-N
XLogP3.10
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol (CID 69004426) is 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol is OCCOc1ccccc1/C=C/c1n[nH]c2ccccc12.
What is the InChIKey of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol?
The InChIKey is GYKJUKDXPXFZBQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-11-12-21-17-8-4-1-5-13(17)9-10-16-14-6-2-3-7-15(14)18-19-16/h1-10,20H,11-12H2,(H,18,19)/b10-9+.
What are the key properties of 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol?
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol has a molecular weight of 280.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol is sourced from PubChem (CID 69004426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).