1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone

C17H18O2S — CID 43218862

IUPAC1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18O2S/c1-12-4-5-14(10-13(12)2)17(18)11-20-16-8-6-15(19-3)7-9-16/h4-10H,11H2,1-3H3
InChIKeyKHWYMNCGEFLNJB-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.29
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone

1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone (PubChem CID 43218862) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
PubChem CID43218862
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18O2S/c1-12-4-5-14(10-13(12)2)17(18)11-20-16-8-6-15(19-3)7-9-16/h4-10H,11H2,1-3H3
InChIKeyKHWYMNCGEFLNJB-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 7661551
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone
CID 1172988
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
CID 43413658
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22778694
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone (CID 43218862) is 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone is COc1ccc(SCC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The InChIKey is KHWYMNCGEFLNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12-4-5-14(10-13(12)2)17(18)11-20-16-8-6-15(19-3)7-9-16/h4-10H,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone?
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone has a molecular weight of 286.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 43218862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).