[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol

C18H25N3O2 — CID 94944899

IUPAC[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
SMILESCc1cccc(OCCn2nnc(CO)c2C2CCCCC2)c1
InChIInChI=1S/C18H25N3O2/c1-14-6-5-9-16(12-14)23-11-10-21-18(17(13-22)19-20-21)15-7-3-2-4-8-15/h5-6,9,12,15,22H,2-4,7-8,10-11,13H2,1H3
InChIKeyAXUQVSXHLSLUPG-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.21
Rot. Bonds6

About [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol

[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol (PubChem CID 94944899) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
PubChem CID94944899
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
SMILESCc1cccc(OCCn2nnc(CO)c2C2CCCCC2)c1
InChIInChI=1S/C18H25N3O2/c1-14-6-5-9-16(12-14)23-11-10-21-18(17(13-22)19-20-21)15-7-3-2-4-8-15/h5-6,9,12,15,22H,2-4,7-8,10-11,13H2,1H3
InChIKeyAXUQVSXHLSLUPG-UHFFFAOYSA-N
XLogP3.21
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 82209110
[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol
CID 94944919
[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 82209124
1-[2-(3-methylphenoxy)ethyl]-5-(oxolan-2-yl)triazole-4-carbaldehyde
CID 82209097
5-cyclobutyl-1-[2-(4-methylphenoxy)ethyl]triazole-4-carbaldehyde
CID 82209194
1-(cyclohexylmethyl)-4-[2-(3-methylphenoxy)ethyl]-1,4-diazepane
CID 52690010
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
1-[2-(3-methylphenoxy)ethyl]-5-propyltriazole-4-carbaldehyde
CID 82209076
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
The IUPAC name of [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol (CID 94944899) is [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol is Cc1cccc(OCCn2nnc(CO)c2C2CCCCC2)c1.
What is the InChIKey of [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
The InChIKey is AXUQVSXHLSLUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-6-5-9-16(12-14)23-11-10-21-18(17(13-22)19-20-21)15-7-3-2-4-8-15/h5-6,9,12,15,22H,2-4,7-8,10-11,13H2,1H3.
What are the key properties of [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol has a molecular weight of 315.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 94944899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).