ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate

C13H18O2S — CID 97354746

IUPACethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)Sc1ccccc1CC
InChIInChI=1S/C13H18O2S/c1-4-11-8-6-7-9-12(11)16-10(3)13(14)15-5-2/h6-10H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyMEADZOCFQQGFJL-SNVBAGLBSA-N
MW238.35 g/mol
LogP3.29
Rot. Bonds5

About ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate

ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate (PubChem CID 97354746) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
PubChem CID97354746
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Nameethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)Sc1ccccc1CC
InChIInChI=1S/C13H18O2S/c1-4-11-8-6-7-9-12(11)16-10(3)13(14)15-5-2/h6-10H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyMEADZOCFQQGFJL-SNVBAGLBSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-(2-ethylphenyl)propanoate
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anisole;ethyl 2-methylpropanoate
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diethyl 2-(2-propan-2-ylphenyl)sulfanylpropanedioate
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ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate (CID 97354746) is ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate is CCOC(=O)[C@@H](C)Sc1ccccc1CC.
What is the InChIKey of ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate?
The InChIKey is MEADZOCFQQGFJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O2S/c1-4-11-8-6-7-9-12(11)16-10(3)13(14)15-5-2/h6-10H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate?
ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate has a molecular weight of 238.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate is sourced from PubChem (CID 97354746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).