1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one

C14H17ClO2 — CID 105092134

IUPAC1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
SMILESO=C(COc1ccc(Cl)cc1)CC1CCCC1
InChIInChI=1S/C14H17ClO2/c15-12-5-7-14(8-6-12)17-10-13(16)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2
InChIKeyVEFTXBUKVGEBGY-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one

1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one (PubChem CID 105092134) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
PubChem CID105092134
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
SMILESO=C(COc1ccc(Cl)cc1)CC1CCCC1
InChIInChI=1S/C14H17ClO2/c15-12-5-7-14(8-6-12)17-10-13(16)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2
InChIKeyVEFTXBUKVGEBGY-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
CID 114192959
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
1-(4-chlorophenoxy)pent-4-en-2-one
CID 105083082
1-[2-(4-chlorophenoxy)acetyl]pyrrolidine-2-carbaldehyde
CID 82023446
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
6-chloro-N-[4-[3-(4-chlorophenoxy)-2-oxopropyl]cyclohexyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 160749143

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one?
The IUPAC name of 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one (CID 105092134) is 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one?
The canonical SMILES for 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one is O=C(COc1ccc(Cl)cc1)CC1CCCC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one?
The InChIKey is VEFTXBUKVGEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c15-12-5-7-14(8-6-12)17-10-13(16)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2.
What are the key properties of 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one?
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one has a molecular weight of 252.74 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one is sourced from PubChem (CID 105092134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).