1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one

C14H16Cl2O2 — CID 39387933

IUPAC1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
SMILESO=C(CCOc1c(Cl)cccc1Cl)C1CCCC1
InChIInChI=1S/C14H16Cl2O2/c15-11-6-3-7-12(16)14(11)18-9-8-13(17)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyYVSPJJLWFNFDDX-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.52
Rot. Bonds5

About 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one

1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one (PubChem CID 39387933) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
PubChem CID39387933
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
SMILESO=C(CCOc1c(Cl)cccc1Cl)C1CCCC1
InChIInChI=1S/C14H16Cl2O2/c15-11-6-3-7-12(16)14(11)18-9-8-13(17)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyYVSPJJLWFNFDDX-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one
CID 135228814
1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
CID 39359938
1-cyclopentyl-2-(2,6-dichloro-4-nitrophenoxy)ethanone
CID 104752005
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
(2,6-dichlorophenyl) N-cyclohexylcarbamate
CID 134113156

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one?
The IUPAC name of 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one (CID 39387933) is 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one.
What is the SMILES notation for 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one?
The canonical SMILES for 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one is O=C(CCOc1c(Cl)cccc1Cl)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one?
The InChIKey is YVSPJJLWFNFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-11-6-3-7-12(16)14(11)18-9-8-13(17)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2.
What are the key properties of 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one?
1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one has a molecular weight of 287.19 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one is sourced from PubChem (CID 39387933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).