5-(1-phenoxypropan-2-yloxy)-1H-indazole

C16H16N2O2 — CID 22933891

IUPAC5-(1-phenoxypropan-2-yloxy)-1H-indazole
SMILESCC(COc1ccccc1)Oc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H16N2O2/c1-12(11-19-14-5-3-2-4-6-14)20-15-7-8-16-13(9-15)10-17-18-16/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyBYBAKZIUZSCNMD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.41
Rot. Bonds5

About 5-(1-phenoxypropan-2-yloxy)-1H-indazole

5-(1-phenoxypropan-2-yloxy)-1H-indazole (PubChem CID 22933891) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(1-phenoxypropan-2-yloxy)-1H-indazole.

Molecular Properties

Compound Name5-(1-phenoxypropan-2-yloxy)-1H-indazole
PubChem CID22933891
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-(1-phenoxypropan-2-yloxy)-1H-indazole
SMILESCC(COc1ccccc1)Oc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H16N2O2/c1-12(11-19-14-5-3-2-4-6-14)20-15-7-8-16-13(9-15)10-17-18-16/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyBYBAKZIUZSCNMD-UHFFFAOYSA-N
XLogP3.41
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenoxypropan-2-yloxy)-1H-indazole?
The IUPAC name of 5-(1-phenoxypropan-2-yloxy)-1H-indazole (CID 22933891) is 5-(1-phenoxypropan-2-yloxy)-1H-indazole.
What is the SMILES notation for 5-(1-phenoxypropan-2-yloxy)-1H-indazole?
The canonical SMILES for 5-(1-phenoxypropan-2-yloxy)-1H-indazole is CC(COc1ccccc1)Oc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(1-phenoxypropan-2-yloxy)-1H-indazole?
The InChIKey is BYBAKZIUZSCNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(11-19-14-5-3-2-4-6-14)20-15-7-8-16-13(9-15)10-17-18-16/h2-10,12H,11H2,1H3,(H,17,18).
What are the key properties of 5-(1-phenoxypropan-2-yloxy)-1H-indazole?
5-(1-phenoxypropan-2-yloxy)-1H-indazole has a molecular weight of 268.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenoxypropan-2-yloxy)-1H-indazole is sourced from PubChem (CID 22933891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).