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

C16H22O3S — CID 107764219

IUPAC2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)C2CCOC2C)cc1C
InChIInChI=1S/C16H22O3S/c1-10-7-12(3)14(8-11(10)2)15(17)9-20(18)16-5-6-19-13(16)4/h7-8,13,16H,5-6,9H2,1-4H3
InChIKeyKZSVWNJJYMKRLM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.72
Rot. Bonds4

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

2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 107764219) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID107764219
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)C2CCOC2C)cc1C
InChIInChI=1S/C16H22O3S/c1-10-7-12(3)14(8-11(10)2)15(17)9-20(18)16-5-6-19-13(16)4/h7-8,13,16H,5-6,9H2,1-4H3
InChIKeyKZSVWNJJYMKRLM-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764329
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64637194
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
CID 99108035
3-[(2-methyloxolan-3-yl)sulfinylmethyl]benzoic acid
CID 107753094
1-[4-methoxy-3-[(2-methyloxolan-3-yl)sulfinylmethyl]phenyl]ethanone
CID 103846375
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
CID 107753126
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753074

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone (CID 107764219) is 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)C2CCOC2C)cc1C.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is KZSVWNJJYMKRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3S/c1-10-7-12(3)14(8-11(10)2)15(17)9-20(18)16-5-6-19-13(16)4/h7-8,13,16H,5-6,9H2,1-4H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 107764219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).