2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol

C12H21N3O2 — CID 114686845

IUPAC2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
SMILESCOC(C1CCCCC1)C(O)c1cnnn1C
InChIInChI=1S/C12H21N3O2/c1-15-10(8-13-14-15)11(16)12(17-2)9-6-4-3-5-7-9/h8-9,11-12,16H,3-7H2,1-2H3
InChIKeyHBNCJOFYMOGXOX-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol

2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol (PubChem CID 114686845) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
PubChem CID114686845
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
SMILESCOC(C1CCCCC1)C(O)c1cnnn1C
InChIInChI=1S/C12H21N3O2/c1-15-10(8-13-14-15)11(16)12(17-2)9-6-4-3-5-7-9/h8-9,11-12,16H,3-7H2,1-2H3
InChIKeyHBNCJOFYMOGXOX-UHFFFAOYSA-N
XLogP1.44
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707932
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
2-cyclohexyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114662095
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol
CID 116756467
1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 116756479

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol (CID 114686845) is 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol is COC(C1CCCCC1)C(O)c1cnnn1C.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol?
The InChIKey is HBNCJOFYMOGXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-10(8-13-14-15)11(16)12(17-2)9-6-4-3-5-7-9/h8-9,11-12,16H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol?
2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).