1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone

C15H20O3S — CID 113449619

IUPAC1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
SMILESCOc1ccc(S(=O)CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H20O3S/c1-18-13-7-9-14(10-8-13)19(17)11-15(16)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyXMALAIZCIMKWQZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.95
Rot. Bonds5

About 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone

1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone (PubChem CID 113449619) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
PubChem CID113449619
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
SMILESCOc1ccc(S(=O)CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H20O3S/c1-18-13-7-9-14(10-8-13)19(17)11-15(16)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyXMALAIZCIMKWQZ-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-(4-methoxyphenyl)sulfinyl]-1-pyrrolidin-2-ylethanone
CID 142625614
2-(4-methoxyphenyl)sulfinyl-1-pyrrolidin-2-ylethanone
CID 142625616
1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
CID 58762545
2-(benzenesulfinyl)-1-cyclopropylethanone
CID 64637996
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
(3-cyclohexyl-3-oxopropyl)-[(4-methoxyphenyl)methyl]azanium chloride
CID 110184835
benzyl (2S)-2-[(2S)-2-[2-(4-methoxyphenyl)sulfinylacetyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 56979710
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
CID 104756236
1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine
CID 64657569

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone?
The IUPAC name of 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone (CID 113449619) is 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone.
What is the SMILES notation for 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone?
The canonical SMILES for 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone is COc1ccc(S(=O)CC(=O)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone?
The InChIKey is XMALAIZCIMKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c1-18-13-7-9-14(10-8-13)19(17)11-15(16)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone?
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone has a molecular weight of 280.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone is sourced from PubChem (CID 113449619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).