1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one

C14H18OS — CID 24725961

IUPAC1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccccc1CCC(=O)C1CCC1
InChIInChI=1S/C14H18OS/c1-16-14-8-3-2-5-12(14)9-10-13(15)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9-10H2,1H3
InChIKeyLMRGYLWCMORASV-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.71
Rot. Bonds5

About 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one

1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one (PubChem CID 24725961) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
PubChem CID24725961
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccccc1CCC(=O)C1CCC1
InChIInChI=1S/C14H18OS/c1-16-14-8-3-2-5-12(14)9-10-13(15)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9-10H2,1H3
InChIKeyLMRGYLWCMORASV-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
1-cyclohexyl-2-(8-methylsulfanylnaphthalen-1-yl)ethanone
CID 162399218
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
3-(2-methylphenyl)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 105117697
1-cyclopentyl-3-(2-methyl-3-nitrophenyl)propan-1-one
CID 113390093
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 171948228
3-(2-fluorophenyl)-1-(9-thiabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 171948226

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one (CID 24725961) is 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one is CSc1ccccc1CCC(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one?
The InChIKey is LMRGYLWCMORASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-16-14-8-3-2-5-12(14)9-10-13(15)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9-10H2,1H3.
What are the key properties of 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one?
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one has a molecular weight of 234.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 24725961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).