2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone

C15H18Cl2O — CID 114973866

IUPAC2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
SMILESCCC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C15H18Cl2O/c1-2-15(7-3-4-8-15)14(18)10-11-9-12(16)5-6-13(11)17/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyKDDDPZBPXRVZOZ-UHFFFAOYSA-N
MW285.21 g/mol
LogP5.08
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone

2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone (PubChem CID 114973866) has the molecular formula C15H18Cl2O and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
PubChem CID114973866
Molecular FormulaC15H18Cl2O
Molecular Weight285.21 g/mol
Exact Mass284.07
IUPAC Name2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
SMILESCCC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C15H18Cl2O/c1-2-15(7-3-4-8-15)14(18)10-11-9-12(16)5-6-13(11)17/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyKDDDPZBPXRVZOZ-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.21
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
CID 116601293
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116550553
2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982262
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 105412230
3-(2,5-dichlorophenyl)-1,1-dimethoxypropan-2-one
CID 79492729
2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone
CID 103048097
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone (CID 114973866) is 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone is CCC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone?
The InChIKey is KDDDPZBPXRVZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O/c1-2-15(7-3-4-8-15)14(18)10-11-9-12(16)5-6-13(11)17/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone?
2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone has a molecular weight of 285.21 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone is sourced from PubChem (CID 114973866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).