1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone

C14H23N3O2 — CID 107047533

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCCOC1(C(=O)Cc2cn(C)nn2)CCCC(C)C1
InChIInChI=1S/C14H23N3O2/c1-4-19-14(7-5-6-11(2)9-14)13(18)8-12-10-17(3)16-15-12/h10-11H,4-9H2,1-3H3
InChIKeyHROYFUUZQVDNHT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.91
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone

1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107047533) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107047533
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCCOC1(C(=O)Cc2cn(C)nn2)CCCC(C)C1
InChIInChI=1S/C14H23N3O2/c1-4-19-14(7-5-6-11(2)9-14)13(18)8-12-10-17(3)16-15-12/h10-11H,4-9H2,1-3H3
InChIKeyHROYFUUZQVDNHT-UHFFFAOYSA-N
XLogP1.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062760
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
1-(1-ethoxy-3-methylcyclohexyl)nonan-1-one
CID 116749779
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107061763
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone (CID 107047533) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone is CCOC1(C(=O)Cc2cn(C)nn2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is HROYFUUZQVDNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-14(7-5-6-11(2)9-14)13(18)8-12-10-17(3)16-15-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107047533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).