2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane

C14H20O3S — CID 66472570

IUPAC2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane
SMILESCc1ccc(S(=O)CCC2OCCCO2)c(C)c1
InChIInChI=1S/C14H20O3S/c1-11-4-5-13(12(2)10-11)18(15)9-6-14-16-7-3-8-17-14/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyHQGLWARSDBWASV-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane

2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane (PubChem CID 66472570) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane
PubChem CID66472570
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane
SMILESCc1ccc(S(=O)CCC2OCCCO2)c(C)c1
InChIInChI=1S/C14H20O3S/c1-11-4-5-13(12(2)10-11)18(15)9-6-14-16-7-3-8-17-14/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyHQGLWARSDBWASV-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-dimethylphenyl)sulfinylethyl]-1,3-dioxane
CID 66472569
2-[2-(2,4-dimethylphenyl)sulfinylethyl]cyclopentan-1-amine
CID 79582053
2-[2-(4-bromophenyl)sulfinylethyl]-1,3-dioxane
CID 66473570
3-methyl-4-[3-(oxolan-2-yl)propylsulfinyl]aniline
CID 81191890
2-[2-(3-chlorophenyl)sulfinylethyl]-1,3-dioxane
CID 66474774
2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane
CID 66473976
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
CID 112741724
3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64658901
2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane
CID 91651416
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane (CID 66472570) is 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane is Cc1ccc(S(=O)CCC2OCCCO2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane?
The InChIKey is HQGLWARSDBWASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-11-4-5-13(12(2)10-11)18(15)9-6-14-16-7-3-8-17-14/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane?
2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane has a molecular weight of 268.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)sulfinylethyl]-1,3-dioxane is sourced from PubChem (CID 66472570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).