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

C12H12Cl2O — CID 65321510

IUPAC1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2O/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyNZDZIAMZXRGUFI-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.91
Rot. Bonds3

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

1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone (PubChem CID 65321510) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
PubChem CID65321510
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2O/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyNZDZIAMZXRGUFI-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone
CID 116580230
2-(2,5-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105102479
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
CID 162682216
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone (CID 65321510) is 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone is O=C(Cc1cc(Cl)ccc1Cl)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is NZDZIAMZXRGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-10-4-5-11(14)9(6-10)7-12(15)8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone?
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 243.13 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 65321510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).