1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

C17H18O2S — CID 43802210

IUPAC1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCCOc1ccccc1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H18O2S/c1-3-19-17-7-5-4-6-15(17)16(18)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeySIIROPGIUWSKHX-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.37
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 43802210) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID43802210
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCCOc1ccccc1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H18O2S/c1-3-19-17-7-5-4-6-15(17)16(18)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeySIIROPGIUWSKHX-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
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1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
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ethane;1-(2-ethoxyphenyl)propan-1-one
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CID 26311228
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (CID 43802210) is 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is CCOc1ccccc1C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is SIIROPGIUWSKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-3-19-17-7-5-4-6-15(17)16(18)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 286.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 43802210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).