2-(2-chlorophenyl)-1-cyclobutylethanone

C12H13ClO — CID 61054249

IUPAC2-(2-chlorophenyl)-1-cyclobutylethanone
SMILESO=C(Cc1ccccc1Cl)C1CCC1
InChIInChI=1S/C12H13ClO/c13-11-7-2-1-4-10(11)8-12(14)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8H2
InChIKeyYCWLBNYVZDUAAT-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-chlorophenyl)-1-cyclobutylethanone

2-(2-chlorophenyl)-1-cyclobutylethanone (PubChem CID 61054249) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-cyclobutylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-cyclobutylethanone
PubChem CID61054249
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name2-(2-chlorophenyl)-1-cyclobutylethanone
SMILESO=C(Cc1ccccc1Cl)C1CCC1
InChIInChI=1S/C12H13ClO/c13-11-7-2-1-4-10(11)8-12(14)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8H2
InChIKeyYCWLBNYVZDUAAT-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-1-cyclobutylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
CID 124512685
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-cyclobutylethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-cyclobutylethanone (CID 61054249) is 2-(2-chlorophenyl)-1-cyclobutylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-cyclobutylethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-cyclobutylethanone is O=C(Cc1ccccc1Cl)C1CCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-cyclobutylethanone?
The InChIKey is YCWLBNYVZDUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-11-7-2-1-4-10(11)8-12(14)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8H2.
What are the key properties of 2-(2-chlorophenyl)-1-cyclobutylethanone?
2-(2-chlorophenyl)-1-cyclobutylethanone has a molecular weight of 208.69 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-cyclobutylethanone is sourced from PubChem (CID 61054249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).