3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol

C16H24N2O2 — CID 116711328

IUPAC3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H24N2O2/c1-4-8-16(20-5-2)15(19)11-13-12-9-6-7-10-14(12)18(3)17-13/h6-7,9-10,15-16,19H,4-5,8,11H2,1-3H3
InChIKeyRXFLYMBOFMCPEN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds7

About 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol

3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol (PubChem CID 116711328) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
PubChem CID116711328
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H24N2O2/c1-4-8-16(20-5-2)15(19)11-13-12-9-6-7-10-14(12)18(3)17-13/h6-7,9-10,15-16,19H,4-5,8,11H2,1-3H3
InChIKeyRXFLYMBOFMCPEN-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
CID 116713352
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
CID 116719285
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
CID 116717506
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380
2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
CID 79450032
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116711297

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol?
The IUPAC name of 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol (CID 116711328) is 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol?
The canonical SMILES for 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol is CCCC(OCC)C(O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol?
The InChIKey is RXFLYMBOFMCPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-8-16(20-5-2)15(19)11-13-12-9-6-7-10-14(12)18(3)17-13/h6-7,9-10,15-16,19H,4-5,8,11H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol?
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol is sourced from PubChem (CID 116711328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).