cyclohexyl-(3-methylsulfanylphenyl)methanone

C14H18OS — CID 146007628

IUPACcyclohexyl-(3-methylsulfanylphenyl)methanone
SMILESCSc1cccc(C(=O)C2CCCCC2)c1
InChIInChI=1S/C14H18OS/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyUSNDMOOPDVKRLA-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.17
Rot. Bonds3

About cyclohexyl-(3-methylsulfanylphenyl)methanone

cyclohexyl-(3-methylsulfanylphenyl)methanone (PubChem CID 146007628) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is cyclohexyl-(3-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-methylsulfanylphenyl)methanone
PubChem CID146007628
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Namecyclohexyl-(3-methylsulfanylphenyl)methanone
SMILESCSc1cccc(C(=O)C2CCCCC2)c1
InChIInChI=1S/C14H18OS/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyUSNDMOOPDVKRLA-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(3-tert-butylphenyl)-cyclopentylmethanone
CID 146005494
[3-(cyclohexanecarbonyl)phenyl] acetate
CID 146010619
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783
cyclopentyl-[3-(methylamino)phenyl]methanone
CID 116917362
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
3-(cyclobutanecarbonyl)benzoyl chloride
CID 123709690
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-methylsulfanylphenyl)methanone?
The IUPAC name of cyclohexyl-(3-methylsulfanylphenyl)methanone (CID 146007628) is cyclohexyl-(3-methylsulfanylphenyl)methanone.
What is the SMILES notation for cyclohexyl-(3-methylsulfanylphenyl)methanone?
The canonical SMILES for cyclohexyl-(3-methylsulfanylphenyl)methanone is CSc1cccc(C(=O)C2CCCCC2)c1.
What is the InChIKey of cyclohexyl-(3-methylsulfanylphenyl)methanone?
The InChIKey is USNDMOOPDVKRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of cyclohexyl-(3-methylsulfanylphenyl)methanone?
cyclohexyl-(3-methylsulfanylphenyl)methanone has a molecular weight of 234.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-methylsulfanylphenyl)methanone is sourced from PubChem (CID 146007628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).