1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

C13H23N3O2 — CID 116754998

IUPAC1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCOC1(C(O)Cc2ncnn2C)CCCC(C)C1
InChIInChI=1S/C13H23N3O2/c1-10-5-4-6-13(8-10,18-3)11(17)7-12-14-9-15-16(12)2/h9-11,17H,4-8H2,1-3H3
InChIKeyWIPJTTIBZUOOOA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.31
Rot. Bonds4

About 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 116754998) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID116754998
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCOC1(C(O)Cc2ncnn2C)CCCC(C)C1
InChIInChI=1S/C13H23N3O2/c1-10-5-4-6-13(8-10,18-3)11(17)7-12-14-9-15-16(12)2/h9-11,17H,4-8H2,1-3H3
InChIKeyWIPJTTIBZUOOOA-UHFFFAOYSA-N
XLogP1.31
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 116754610
1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
CID 116755093
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116714430
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012543

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 116754998) is 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is COC1(C(O)Cc2ncnn2C)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is WIPJTTIBZUOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-5-4-6-13(8-10,18-3)11(17)7-12-14-9-15-16(12)2/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 253.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 116754998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).