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

C14H16Cl2O2 — CID 106203267

IUPAC2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
SMILESO=C(COCCC1CCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-11-4-5-13(16)12(8-11)14(17)9-18-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2
InChIKeyYLHDIEKACYHNCQ-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.38
Rot. Bonds6

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

2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone (PubChem CID 106203267) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
PubChem CID106203267
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
SMILESO=C(COCCC1CCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-11-4-5-13(16)12(8-11)14(17)9-18-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2
InChIKeyYLHDIEKACYHNCQ-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutylethyl 5-chloro-2-fluorobenzoate
CID 106206623
1-(2,5-dichlorophenyl)-2-heptoxyethanone
CID 43800122
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 106203300
1-(2,5-dichlorophenyl)-2-(2,2-difluoroethoxy)ethanone
CID 82006425
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
2-cyclobutylethyl 3-amino-4-chlorobenzoate
CID 106202993
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200088
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
CID 106203157
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone (CID 106203267) is 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone is O=C(COCCC1CCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone?
The InChIKey is YLHDIEKACYHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-11-4-5-13(16)12(8-11)14(17)9-18-7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone?
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone has a molecular weight of 287.19 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 106203267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).