2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone

C13H18O2S — CID 104659274

IUPAC2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSCC
InChIInChI=1S/C13H18O2S/c1-3-9-15-13-8-6-5-7-11(13)12(14)10-16-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyWTENEBYRBQZTAD-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.41
Rot. Bonds7

About 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone

2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone (PubChem CID 104659274) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
PubChem CID104659274
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSCC
InChIInChI=1S/C13H18O2S/c1-3-9-15-13-8-6-5-7-11(13)12(14)10-16-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyWTENEBYRBQZTAD-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659325
2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659319
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone
CID 82053584
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
CID 107752662

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone (CID 104659274) is 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)CSCC.
What is the InChIKey of 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone?
The InChIKey is WTENEBYRBQZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-3-9-15-13-8-6-5-7-11(13)12(14)10-16-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone?
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone has a molecular weight of 238.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 104659274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).