1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol

C18H26N2O — CID 107192548

IUPAC1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(CC(O)C2CCCCC2(C)C)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-18(2)11-7-6-9-14(18)17(21)12-15-13-8-4-5-10-16(13)20(3)19-15/h4-5,8,10,14,17,21H,6-7,9,11-12H2,1-3H3
InChIKeyJWBTYRYFWDVXGU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.69
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol

1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol (PubChem CID 107192548) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol
PubChem CID107192548
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(CC(O)C2CCCCC2(C)C)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-18(2)11-7-6-9-14(18)17(21)12-15-13-8-4-5-10-16(13)20(3)19-15/h4-5,8,10,14,17,21H,6-7,9,11-12H2,1-3H3
InChIKeyJWBTYRYFWDVXGU-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethylcyclopentyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 107194259
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
2-(1,1-dioxothiolan-3-yl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 66025406
1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 115336622
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
CID 80684499
[2-(1-methylindazol-3-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105318163
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 107192144

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol (CID 107192548) is 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol is Cn1nc(CC(O)C2CCCCC2(C)C)c2ccccc21.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol?
The InChIKey is JWBTYRYFWDVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)11-7-6-9-14(18)17(21)12-15-13-8-4-5-10-16(13)20(3)19-15/h4-5,8,10,14,17,21H,6-7,9,11-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol?
1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol has a molecular weight of 286.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol is sourced from PubChem (CID 107192548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).