2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone

C18H26O2S — CID 64637194

IUPAC2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)C2CCCC(C)C2)cc1C
InChIInChI=1S/C18H26O2S/c1-12-6-5-7-16(8-12)21(20)11-18(19)17-10-14(3)13(2)9-15(17)4/h9-10,12,16H,5-8,11H2,1-4H3
InChIKeyZLZTWYJTXJKBBX-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.12
Rot. Bonds4

About 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone

2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 64637194) has the molecular formula C18H26O2S and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID64637194
Molecular FormulaC18H26O2S
Molecular Weight306.47 g/mol
Exact Mass306.17
IUPAC Name2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)C2CCCC(C)C2)cc1C
InChIInChI=1S/C18H26O2S/c1-12-6-5-7-16(8-12)21(20)11-18(19)17-10-14(3)13(2)9-15(17)4/h9-10,12,16H,5-8,11H2,1-4H3
InChIKeyZLZTWYJTXJKBBX-UHFFFAOYSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64637769
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 107764219
1-(3-methylcyclohexyl)sulfinylpentan-2-one
CID 64635690
2-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 62721365
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
4-fluoro-3-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 107453551
2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64658201
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64639379
1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64659368

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone (CID 64637194) is 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)C2CCCC(C)C2)cc1C.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is ZLZTWYJTXJKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2S/c1-12-6-5-7-16(8-12)21(20)11-18(19)17-10-14(3)13(2)9-15(17)4/h9-10,12,16H,5-8,11H2,1-4H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 306.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 64637194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).