cyclohexyl-(4-phenylsulfanylphenyl)methanone

C19H20OS — CID 141107272

IUPACcyclohexyl-(4-phenylsulfanylphenyl)methanone
SMILESO=C(c1ccc(Sc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C19H20OS/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2
InChIKeyLDUCQJCKMQXLDS-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.60
Rot. Bonds4

About cyclohexyl-(4-phenylsulfanylphenyl)methanone

cyclohexyl-(4-phenylsulfanylphenyl)methanone (PubChem CID 141107272) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is cyclohexyl-(4-phenylsulfanylphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-phenylsulfanylphenyl)methanone
PubChem CID141107272
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Namecyclohexyl-(4-phenylsulfanylphenyl)methanone
SMILESO=C(c1ccc(Sc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C19H20OS/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2
InChIKeyLDUCQJCKMQXLDS-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
5-[4-(cyclopentanecarbonyl)phenyl]sulfanyl-2,3-dihydroinden-1-one
CID 151933304
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
cyclohexyl-(3-methylsulfanylphenyl)methanone
CID 146007628
4-cyclopentyl-1-(4-phenylsulfanylphenyl)butane-1,2-dione
CID 175975963
S-phenyl cyclopentanecarbothioate
CID 14090314
[(E)-[4-cyclohexyl-1-oxo-1-(4-phenylsulfanylphenyl)butan-2-ylidene]amino] cyclohexanecarboxylate
CID 118902042
(2S)-2-[4-(cyclohexanecarbonyl)phenyl]propanoic acid
CID 57323646

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-phenylsulfanylphenyl)methanone?
The IUPAC name of cyclohexyl-(4-phenylsulfanylphenyl)methanone (CID 141107272) is cyclohexyl-(4-phenylsulfanylphenyl)methanone.
What is the SMILES notation for cyclohexyl-(4-phenylsulfanylphenyl)methanone?
The canonical SMILES for cyclohexyl-(4-phenylsulfanylphenyl)methanone is O=C(c1ccc(Sc2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4-phenylsulfanylphenyl)methanone?
The InChIKey is LDUCQJCKMQXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2.
What are the key properties of cyclohexyl-(4-phenylsulfanylphenyl)methanone?
cyclohexyl-(4-phenylsulfanylphenyl)methanone has a molecular weight of 296.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-phenylsulfanylphenyl)methanone is sourced from PubChem (CID 141107272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).