1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol

C13H18N2O2 — CID 103129050

IUPAC1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H18N2O2/c1-9(2)17-8-12(16)13-10-6-4-5-7-11(10)15(3)14-13/h4-7,9,12,16H,8H2,1-3H3
InChIKeyZWOGHLPQLSLAEI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.03
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol

1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol (PubChem CID 103129050) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
PubChem CID103129050
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H18N2O2/c1-9(2)17-8-12(16)13-10-6-4-5-7-11(10)15(3)14-13/h4-7,9,12,16H,8H2,1-3H3
InChIKeyZWOGHLPQLSLAEI-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
3-(difluoromethyl)-1-methylindazole
CID 153487584
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
CID 103129093
1-methyl-3-(1-nitrosoethyl)indazole
CID 123266859
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103129098
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103128662

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol (CID 103129050) is 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol?
The InChIKey is ZWOGHLPQLSLAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)17-8-12(16)13-10-6-4-5-7-11(10)15(3)14-13/h4-7,9,12,16H,8H2,1-3H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol?
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol has a molecular weight of 234.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 103129050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).