1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one

C16H22O — CID 143639274

IUPAC1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1ccc(CC(C)C(=O)C2CCC2)c(C)c1
InChIInChI=1S/C16H22O/c1-11-7-8-15(12(2)9-11)10-13(3)16(17)14-5-4-6-14/h7-9,13-14H,4-6,10H2,1-3H3
InChIKeyOAWWWSLYIAAOEZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.85
Rot. Bonds4

About 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one

1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 143639274) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
PubChem CID143639274
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1ccc(CC(C)C(=O)C2CCC2)c(C)c1
InChIInChI=1S/C16H22O/c1-11-7-8-15(12(2)9-11)10-13(3)16(17)14-5-4-6-14/h7-9,13-14H,4-6,10H2,1-3H3
InChIKeyOAWWWSLYIAAOEZ-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110809402
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
CID 81357864

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one (CID 143639274) is 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one is Cc1ccc(CC(C)C(=O)C2CCC2)c(C)c1.
What is the InChIKey of 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is OAWWWSLYIAAOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-7-8-15(12(2)9-11)10-13(3)16(17)14-5-4-6-14/h7-9,13-14H,4-6,10H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one?
1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 230.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 143639274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).