1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone

C12H12Cl2O — CID 107307888

IUPAC1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2O/c13-10-6-2-5-9(12(10)14)7-11(15)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2
InChIKeyBIAWMMAFIWIPCJ-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.91
Rot. Bonds3

About 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone

1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone (PubChem CID 107307888) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
PubChem CID107307888
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2O/c13-10-6-2-5-9(12(10)14)7-11(15)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2
InChIKeyBIAWMMAFIWIPCJ-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-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone (CID 107307888) is 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1Cl)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone?
The InChIKey is BIAWMMAFIWIPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-10-6-2-5-9(12(10)14)7-11(15)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone?
1-cyclobutyl-2-(2,3-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-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 107307888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).