1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone

C14H16Cl2O2 — CID 113220137

IUPAC1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H16Cl2O2/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyURBMORCQUAJCPI-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.52
Rot. Bonds4

About 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone

1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 113220137) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
PubChem CID113220137
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H16Cl2O2/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyURBMORCQUAJCPI-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide
CID 1378778
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone (CID 113220137) is 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is URBMORCQUAJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone?
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 287.19 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 113220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).