cyclobutyl-(2,4-dimethylphenyl)methanone

C13H16O — CID 24724130

IUPACcyclobutyl-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCC2)c(C)c1
InChIInChI=1S/C13H16O/c1-9-6-7-12(10(2)8-9)13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyJZCNVUQXOTVPQU-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.29
Rot. Bonds2

About cyclobutyl-(2,4-dimethylphenyl)methanone

cyclobutyl-(2,4-dimethylphenyl)methanone (PubChem CID 24724130) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is cyclobutyl-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,4-dimethylphenyl)methanone
PubChem CID24724130
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namecyclobutyl-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCC2)c(C)c1
InChIInChI=1S/C13H16O/c1-9-6-7-12(10(2)8-9)13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyJZCNVUQXOTVPQU-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
(2,4-dimethylphenyl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944446
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
CID 47055293
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,4-dimethylphenyl)methanone
CID 171944441

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,4-dimethylphenyl)methanone?
The IUPAC name of cyclobutyl-(2,4-dimethylphenyl)methanone (CID 24724130) is cyclobutyl-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for cyclobutyl-(2,4-dimethylphenyl)methanone?
The canonical SMILES for cyclobutyl-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2CCC2)c(C)c1.
What is the InChIKey of cyclobutyl-(2,4-dimethylphenyl)methanone?
The InChIKey is JZCNVUQXOTVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-6-7-12(10(2)8-9)13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of cyclobutyl-(2,4-dimethylphenyl)methanone?
cyclobutyl-(2,4-dimethylphenyl)methanone has a molecular weight of 188.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 24724130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).