1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone

C15H22O2S — CID 107752662

IUPAC1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
SMILESCCOc1ccccc1C(=O)CSCC(C)CC
InChIInChI=1S/C15H22O2S/c1-4-12(3)10-18-11-14(16)13-8-6-7-9-15(13)17-5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyDETRXXWSRZQWPZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.05
Rot. Bonds8

About 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone

1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone (PubChem CID 107752662) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
PubChem CID107752662
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
SMILESCCOc1ccccc1C(=O)CSCC(C)CC
InChIInChI=1S/C15H22O2S/c1-4-12(3)10-18-11-14(16)13-8-6-7-9-15(13)17-5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyDETRXXWSRZQWPZ-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
1-(2-ethoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanone
CID 43799154
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone (CID 107752662) is 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone is CCOc1ccccc1C(=O)CSCC(C)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone?
The InChIKey is DETRXXWSRZQWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-4-12(3)10-18-11-14(16)13-8-6-7-9-15(13)17-5-2/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone?
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone is sourced from PubChem (CID 107752662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).