1-cyclobutyl-2-(4-methylphenyl)ethanone

C13H16O — CID 61080102

IUPAC1-cyclobutyl-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCC2)cc1
InChIInChI=1S/C13H16O/c1-10-5-7-11(8-6-10)9-13(14)12-3-2-4-12/h5-8,12H,2-4,9H2,1H3
InChIKeyKPCUBZWIHZFVCO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.91
Rot. Bonds3

About 1-cyclobutyl-2-(4-methylphenyl)ethanone

1-cyclobutyl-2-(4-methylphenyl)ethanone (PubChem CID 61080102) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-cyclobutyl-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(4-methylphenyl)ethanone
PubChem CID61080102
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-cyclobutyl-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCC2)cc1
InChIInChI=1S/C13H16O/c1-10-5-7-11(8-6-10)9-13(14)12-3-2-4-12/h5-8,12H,2-4,9H2,1H3
InChIKeyKPCUBZWIHZFVCO-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Lilial
CID 228987
Cyclamen aldehyde
CID 517827
Benzyl acetone
CID 17355
Phenylacetone
CID 7678
p-METHYLACETOPHENONE
CID 8500
Cyclohexyl phenyl ketone
CID 12837
Valerophenone
CID 66093
1,3-Diphenyl-2-propanone
CID 7593
4-Isopropylacetophenone
CID 12578
2-Methyl-3-(p-tolyl)propanal
CID 95594
4-Methyl-1-phenyl-2-pentanone
CID 219672
4'-Ethylacetophenone
CID 13642

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(4-methylphenyl)ethanone (CID 61080102) is 1-cyclobutyl-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-2-(4-methylphenyl)ethanone?
The InChIKey is KPCUBZWIHZFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-5-7-11(8-6-10)9-13(14)12-3-2-4-12/h5-8,12H,2-4,9H2,1H3.
What are the key properties of 1-cyclobutyl-2-(4-methylphenyl)ethanone?
1-cyclobutyl-2-(4-methylphenyl)ethanone has a molecular weight of 188.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 61080102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).