cyclohexyl 2-(4-chlorophenoxy)acetate

C14H17ClO3 — CID 836188

IUPACcyclohexyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OC1CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-6-8-12(9-7-11)17-10-14(16)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyYMENFBJHTHEZFR-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.59
Rot. Bonds4

About cyclohexyl 2-(4-chlorophenoxy)acetate

cyclohexyl 2-(4-chlorophenoxy)acetate (PubChem CID 836188) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is cyclohexyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-chlorophenoxy)acetate
PubChem CID836188
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Namecyclohexyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OC1CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-6-8-12(9-7-11)17-10-14(16)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyYMENFBJHTHEZFR-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate
CID 1192156
1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
CID 114192959
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
2-(4-chlorophenoxy)-N-[6-(cyclohexylamino)-3-pyridinyl]acetamide
CID 113010077
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of cyclohexyl 2-(4-chlorophenoxy)acetate (CID 836188) is cyclohexyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for cyclohexyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for cyclohexyl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-chlorophenoxy)acetate?
The InChIKey is YMENFBJHTHEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-11-6-8-12(9-7-11)17-10-14(16)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of cyclohexyl 2-(4-chlorophenoxy)acetate?
cyclohexyl 2-(4-chlorophenoxy)acetate has a molecular weight of 268.74 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 836188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).