1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone

C15H22O2S — CID 82053698

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
SMILESCCOc1ccc(C(=O)CSC(C)C)c(C)c1C
InChIInChI=1S/C15H22O2S/c1-6-17-15-8-7-13(11(4)12(15)5)14(16)9-18-10(2)3/h7-8,10H,6,9H2,1-5H3
InChIKeyCZPLFHMXARMNCN-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone

1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone (PubChem CID 82053698) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
PubChem CID82053698
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
SMILESCCOc1ccc(C(=O)CSC(C)C)c(C)c1C
InChIInChI=1S/C15H22O2S/c1-6-17-15-8-7-13(11(4)12(15)5)14(16)9-18-10(2)3/h7-8,10H,6,9H2,1-5H3
InChIKeyCZPLFHMXARMNCN-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-(2-propan-2-ylsulfanylacetyl)benzoic acid
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1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193638
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
2-(2,3-dimethyl-4-propanoylphenoxy)acetic acid
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ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
5-(2,3-dimethyl-4-propoxyphenyl)-5-oxopentanoic acid
CID 82266372
ethyl 2-(2,3-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552544
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
CID 107752662

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone (CID 82053698) is 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone is CCOc1ccc(C(=O)CSC(C)C)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone?
The InChIKey is CZPLFHMXARMNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-6-17-15-8-7-13(11(4)12(15)5)14(16)9-18-10(2)3/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone?
1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone has a molecular weight of 266.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 82053698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).