1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone

C15H20OS — CID 114601876

IUPAC1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)c1ccccc1C1CCC1
InChIInChI=1S/C15H20OS/c1-11(2)17-10-15(16)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyIMEKXCURMRKSTF-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone

1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone (PubChem CID 114601876) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
PubChem CID114601876
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)c1ccccc1C1CCC1
InChIInChI=1S/C15H20OS/c1-11(2)17-10-15(16)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyIMEKXCURMRKSTF-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
3-(aminomethyl)-1-(2-cyclobutylphenyl)-5-methylhexan-1-one
CID 114607588
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
4-(2-cyclopropylphenyl)-2-methyl-4-oxobutanoic acid
CID 79977145
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
CID 114607600
5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
CID 114607787
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
ethyl 2-cyclobutylbenzoate
CID 106942755
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114601706

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone (CID 114601876) is 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone is CC(C)SCC(=O)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone?
The InChIKey is IMEKXCURMRKSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-11(2)17-10-15(16)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone?
1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone has a molecular weight of 248.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 114601876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).