1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one

C14H18OS — CID 24726014

IUPAC1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(CCC(=O)C2CCC2)cc1
InChIInChI=1S/C14H18OS/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12H,2-4,7,10H2,1H3
InChIKeyJMEQGBDXXHBGBY-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.71
Rot. Bonds5

About 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one

1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one (PubChem CID 24726014) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
PubChem CID24726014
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(CCC(=O)C2CCC2)cc1
InChIInChI=1S/C14H18OS/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12H,2-4,7,10H2,1H3
InChIKeyJMEQGBDXXHBGBY-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-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one (CID 24726014) is 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one is CSc1ccc(CCC(=O)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one?
The InChIKey is JMEQGBDXXHBGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12H,2-4,7,10H2,1H3.
What are the key properties of 1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one?
1-cyclobutyl-3-(4-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-(4-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 24726014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).