2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone

C17H24O3 — CID 64728813

IUPAC2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)COC2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H24O3/c1-12-7-13(2)9-16(8-12)20-11-17(18)14-5-4-6-15(10-14)19-3/h4-6,10,12-13,16H,7-9,11H2,1-3H3
InChIKeyNMYFYQMLZZIYEH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.72
Rot. Bonds5

About 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone

2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone (PubChem CID 64728813) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone
PubChem CID64728813
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)COC2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H24O3/c1-12-7-13(2)9-16(8-12)20-11-17(18)14-5-4-6-15(10-14)19-3/h4-6,10,12-13,16H,7-9,11H2,1-3H3
InChIKeyNMYFYQMLZZIYEH-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800872
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
3-[2-(3-methoxyphenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835683
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
2-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)ethanone
CID 66233860
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone (CID 64728813) is 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)COC2CC(C)CC(C)C2)c1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone?
The InChIKey is NMYFYQMLZZIYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-12-7-13(2)9-16(8-12)20-11-17(18)14-5-4-6-15(10-14)19-3/h4-6,10,12-13,16H,7-9,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone?
2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 64728813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).