1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone

C16H15ClOS — CID 43413761

IUPAC1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(C)c(SCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClOS/c1-11-6-7-12(2)16(8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyQSKHMVRERFETRA-UHFFFAOYSA-N
MW290.81 g/mol
LogP4.93
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone

1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone (PubChem CID 43413761) has the molecular formula C16H15ClOS and a molecular weight of 290.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
PubChem CID43413761
Molecular FormulaC16H15ClOS
Molecular Weight290.81 g/mol
Exact Mass290.05
IUPAC Name1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(C)c(SCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClOS/c1-11-6-7-12(2)16(8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyQSKHMVRERFETRA-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413718
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566298
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
ethyl 2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 43218423
2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135887538
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone (CID 43413761) is 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone is Cc1ccc(C)c(SCC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
The InChIKey is QSKHMVRERFETRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-11-6-7-12(2)16(8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone has a molecular weight of 290.81 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone is sourced from PubChem (CID 43413761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).