1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone

C13H14Cl2O2S — CID 107752435

IUPAC1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
SMILESCC1OCCC1SCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2O2S/c1-8-13(4-5-17-8)18-7-12(16)10-3-2-9(14)6-11(10)15/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyVUMKFYICVIOCTC-UHFFFAOYSA-N
MW305.23 g/mol
LogP4.09
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone

1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone (PubChem CID 107752435) has the molecular formula C13H14Cl2O2S and a molecular weight of 305.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
PubChem CID107752435
Molecular FormulaC13H14Cl2O2S
Molecular Weight305.23 g/mol
Exact Mass304.01
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
SMILESCC1OCCC1SCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2O2S/c1-8-13(4-5-17-8)18-7-12(16)10-3-2-9(14)6-11(10)15/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyVUMKFYICVIOCTC-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752371
1-(3-chloro-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752386
1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752409
1-(2,4-dichlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495124
N-(3-amino-4-chlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748298
N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748372
1-(2,5-dichlorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997176
1-(2,4-dichlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 107781186
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone (CID 107752435) is 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone is CC1OCCC1SCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The InChIKey is VUMKFYICVIOCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2S/c1-8-13(4-5-17-8)18-7-12(16)10-3-2-9(14)6-11(10)15/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone has a molecular weight of 305.23 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone is sourced from PubChem (CID 107752435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).