1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone

C17H18O3S — CID 63649372

IUPAC1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCCOc1ccccc1C(=O)COc1ccc(SC)cc1
InChIInChI=1S/C17H18O3S/c1-3-19-17-7-5-4-6-15(17)16(18)12-20-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyUDNDKQMWGZTPKG-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.07
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone

1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone (PubChem CID 63649372) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
PubChem CID63649372
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCCOc1ccccc1C(=O)COc1ccc(SC)cc1
InChIInChI=1S/C17H18O3S/c1-3-19-17-7-5-4-6-15(17)16(18)12-20-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyUDNDKQMWGZTPKG-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 61229921
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 31666708
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone (CID 63649372) is 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone is CCOc1ccccc1C(=O)COc1ccc(SC)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
The InChIKey is UDNDKQMWGZTPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-3-19-17-7-5-4-6-15(17)16(18)12-20-13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone?
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone has a molecular weight of 302.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone is sourced from PubChem (CID 63649372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).